IMCA-CAT Journal Publications  (October 2007)

 

Total Number of Publications: 381
Abbott (current IMCA member, since 1990)
number of publications: 28
PDB Structures
2007 Kent D. Stewart, Kevin Steffy, Kevin Harris, John E. Harlan, Vincent S. Stoll, Jeffrey R. Huth, Karl A. Walter, Emily Gramling-Evans, Renaldo R. Mendoza, Jean M. Severin, Paul L. Richardson, Leo W. Barrett, Edmund D. Matayoshi, Kerry M. Swift, Stephen F. Betz, Steve W. Muchmore, Dale J. Kempf, Akhter Molla. Design and characterization of an engineered gp41 protein from human immunodeficiency virus-1 as a tool for drug discovery. J. Comput. Aided Mol. Des. 21 (1-3), January, 121-130 (2007).
DOI: 10.1007/s10822-007-9107-1		 17-ID
2006 Andrew Burchat, David W. Borhani, David J. Calderwood, Gavin C. Hirst, Biqin Li, Robert F. Stachlewitz. Discovery of A-770041, a src-family selective orally active lck inhibitor that prevents organ allograft rejection. Bioorg. Med. Chem. Lett. 16 (1), January, 118-122 (2006).
DOI: 10.1016/j.bmcl.2005.09.039		 17-ID 17-BM
2c0i 2c0t
Kenneth M. Comess, Jonathan D. Trumbull, Chang Park, Zehan Chen, Russell A. Judge, Martin J. Voorbach, Michael Coen, Lan Gao, Hua Tang, Peter Kovar, Xueheng Cheng, Mark E. Schurdak, Haiying Zhang, Tom Sowin, David J. Burns. Kinase Drug Discovery by Affinity Selection/Mass Spectrometry (ASMS): Application to DNA Damage Checkpoint Kinase Chk1. J. Biomol. Screen. 11 (7), September, 755-764 (2006).
DOI: 10.1177/1087057106289972		 17-ID
Chunqiu Lai, Rebecca J. Gum, Melissa Daly, Elizabeth H. Fry, Charles Hutchins, Celerino Abad-Zapatero, Thomas W. von Geldern, "Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase," Bioorg. Med. Chem. Lett. 16 (7), April, 1807-1810 (2006).
DOI: 10.1016/j.bmcl.2006.01.014		 17-ID 17-BM
2fie 2fix
Qun Li, Keith W. Woods, Sheela Thomas, Gui-Dong Zhu, Garrick Packard, John Fisher, Tongmei Li, Jianchun Gong, Jurgen Dinges, Xiaohong Song, Jason Abrams, Yan Luo, Eric F. Johnson, Yan Shi, Xuesong Liu, Vered Klinghofer, RonDes Jong, Tilman Oltersdorf, Vincent S. Stoll, Clarissa G. Jakob, Saul H. Rosenberg, Vincent L. Giranda. Synthesis and structure–activity relationship of 3,4'-bispyridinylethylenes: Discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Bioorg. Med. Chem. Lett. 16 (7), April, 1759-2052 (2006).
DOI: 10.1016/j.bmcl.2005.12.065		 17-ID
Liu, M.,  Xin, Z.,  Clampit, J.E.,  Wang, S.,  Gum, R.J.,  Haasch, D.L.,  Trevillyan, J.M.,  Abad-Zapatero, C.,  Fry, E.H.,  Sham, H.L.,  Liu, G.. Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors. Bioorg. Med. Chem. Lett. v16, 2590-2594 (2006).
DOI: 10.1016/j.bmcl.2006.02.046 		17-ID
2g01
Kenton L. Longenecker, Kent D. Stewart, David J. Madar, Clarissa G. Jakob, Elizabeth H. Fry, Sherwin Wilk, Chun W. Lin, Stephen J. Ballaron, Michael A. Stashko, Thomas H. Lubben, Hong Yong, Daisy Pireh, Zhonghua Pei, Fatima Basha, Paul E. Wiedeman, Thomas W. von Geldern, James M. Trevillyan, Vincent S. Stoll. Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors. Biochemistry-US 45 (24), June, 7474-7482 (2006).
DOI: 10.1021/bi060184f		 17-ID
2gbc 2gbf 2gbg
2gbi
Steven W. Muchmore, Richard A. Smith, Andrew O. Stewart, Marlon D. Cowart, Arthur Gomtsyan, Mark A. Matulenko, Haixia Yu, Jean M. Severin, Shripad S. Bhagwat, Chih-Hung Lee, Elizabeth A. Kowaluk, Michael F. Jarvis, Clarissa L. Jakob. Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. J. Med. Chem. 49 (23), November, 6726-6731 (2006).
DOI: 10.1021/jm060189a
2i6a 2i6b
Zhonghua Pei, Xiaofeng Li, Kenton Longenecker, Thomas W. von Geldern, Paul E. Wiedeman, Thomas H. Lubben, Bradley A. Zinker, Kent Stewart, Stephen J. Ballaron, Michael A. Stashko, Amanda K. Mika, David W.A. Beno, Michelle Long, Heidi Wells, Anita J. Kempf-Grote, David J. Madar, Todd S. McDermott, Lakshmi Bhagavatula, Michael G. Fickes, Daisy Pireh, Larry R. Solomon, Marc R. Lake, Rohinton Edalji, Elizabeth H. Fry, Hing L. Sham, James M. Trevillyan. Discovery, Structure-Activity Relationship, and Pharmacological Evaluation of (5-Substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as Potent Dipeptidyl Peptidase IV Inhibitors. J. Med. Chem. 49 (12), June, 3520-3535 (2006).
DOI: 10.1021/jm051283e		 17-ID 17-BM
2g5p 2g5t 2g63
Geoffrey F. Stamper, Kenton L. Longenecker, Elizabeth H. Fry, Clarissa G. Jakob, Alan S. Florjancic, Yu-Gui Gu, David D. Anderson, Curt S. Cooper, Tianyuan Zhang, Richard F. Clark, Yingna Cia, Candace L. Black-Schaefer, J. Owen McCall, Claude G. Lerner, Philip J. Hajduk, Bruce A. Beutel, Vincent S. Stoll. Structure-based Optimization of MurF Inhibitors. Chem. Biol. Drug Des. 67 (1), January, 58-65 (2006).
DOI: 10.1111/j.1747-0285.2005.00317		 17-ID 17-BM
Thomas W. von Geldern, Chunqiu Lai, Rebecca J. Gum, Melissa Daly, Chaohong Sun, Elizabeth H. Fry, Celerino Abad-Zapatero. Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode. Bioorg. Med. Chem. Lett. 16 (7), April, 1811-1815 (2006).
DOI: 10.1016/j.bmcl.2006.01.015		 17-ID
2005 Wen-Zhen Gu, Ingrid Joseph, Yi-Chun Wang, David Frost, Gerard M. Sullivan, Le Wang, Nan-Horng Lin, Jerry Cohen, Vincent S. Stoll, Clarissa G. Jakob, Steven W. Muchmore, John E. Harlan, Tom Holzman, Karl A. Walten, Uri S. Ladror, Mark G. Anderson, Paul Kroeger, Luis E. Rodriguez, Kenneth P. Jarvis, Debra Ferguson, Kennan Marsh, Shichung Ng, Saul H. Rosenberg, Hing L. Sham, Haiying Zhang. A highly potent and selective farnesyltransferase inhibitor ABT-100 in preclinical studies. Anti-Cancer Drug 16 (10), November, 1059-1069 (2005). 17-ID
Kenton L. Longenecker, Geoffrey F. Stamper, Philip J. Hajduk, Elizabeth H. Fry, Clarissa G. Jakob, John E. Harlan, Rohinton Edalji, Diane M. Bartley, Karl A. Walter, Larry R. Solomon, Thomas F. Holzman, Yu Gui Gu, Claude G. Lerner, Bruce A. Beutel, Vincent S. Stoll. Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure. Protein Sci. 14, 3039-3047 (2005). 17-ID
Michael J. Theisen, Terra B. Potocky, D.Tyler McQuade, Samue H. Gellman, Mark L. Chiu. Crystallization of bacteriorhodopsin solubilized by a tripod amphiphile. Biochim. Biophys. Acta 1751 (2), August, 213-216 (2005). 17-ID
Chen Zhao, Hing L. Sham, Minghua Sun, Vincent S. Stoll, Kent D. Stewart, Shuqun Lin, Hongmei Mo, Sudthida Vasavanonda, Ayda Saldivar, Chang Park, Edith J. McDonald, Kennan C. Marsh, Larry L. Klein, Dale J. Kempf, Daniel W. Norbeck. Synthesis and activity of N-acyl azacyclic urea HIV-1 protease inhibitors with high potency against multiple drug resistant viral strains. Bioorg. Med. Chem. Lett. 15 (24), December, 5499-5503 (2005).
DOI: 10.1016/j.bmcl.2005.08.093		 17-ID
2004 Qun Li, Akiyo Claiborne, Tongmei Li, Lisa Hasvold, Vincent S. Stoll, Steven Muchmore, Clarissa G. Jakob, Wendy Gu, Jerry Cohen, Charles Hutchins, David Frost, Saul H. Rosenberg, Hing L. Sham. Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors. Bioorg. Med. Chem. Lett. 14 (21), October, 5367-5370 (2004). 17-ID
2003  Michael L. Curtin, Alan S. Florjancic, Jerome Cohen, Wen-Zhen Gu, David J. Frost, Steven W. Muchmore, Hing L. Sham. Novel and selective imidazole-containing biphenyl inhibitors of protein farnesyltransferase. Bioorg. Med. Chem. Lett. 13, pp. 1367-1371 (2003). 17-ID 17-BM
1nl4
Stephen L. Gwaltney II, Stephen J. O'Connor, Lissa T.J. Nelson, Gerard M. Sullivan, Hovis Imade, Weibo Wang, Lisa Hasvold, Qun Li, Jerome Cohen, Wen-Zhen Gu, Stephen K. Tahir, Joy Bauch, Kennan Marsh, Shi-Chung Ng, David J. Frost, Haiying Zhang, Steve Muchmore, Clarissa G. Jakob, Vincent Stoll, Charles Hutchins, Saul H. Rosenberg, Hing L. Sham. Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives. Bioorg. Med. Chem. Lett. 13, 7, April, pp. 1359-1362 (2003). 17-ID
Stephen L. Gwaltney II, Stephen J. O'Connor, Lissa T.J. Nelson, Gerard M. Sullivan, Hovis Imade, Weibo Wang, Lisa Hasvold, Qun Li, Jerome Cohen, Wen-Zhen Gu, Stephen K. Tahir, Joy Bauch, Kennan Marsh, Shi-Chung Ng, David J. Frost, Haiying Zhang, Steve Muchmore, Clarissa G. Jakob, Vincent Stoll, Charles Hutchins, Saul H. Rosenberg, Hing L. Sham. Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency. Bioorg. Med. Chem. Lett. 13, 7, April, pp. 1363-1366 (2003). 17-ID
Bjorn Kauppi, Clarissa Jakob, Mathias Farnegardh, Jie Yang, Harri Ahola, Maria Alarcon, Karin Calles, Owe Engstrom, John Harlan, Steven Muchmore, Anna-Karin Ramqvist, Susanne Thorell, Lars Ohman, Jonathan Greer, Jan-Ake Gustafsson, Jan Carlstedt-Duke, Mats Carlquist. The three-dimensional structures of antagonistic and agonistic forms of the glucocorticoid receptor ligand-binding domain: RU-486 induces a transconformation that leads to active antagonism. J. Biol. Chem. 278 (25), June, 22748-22754 (2003). 17-ID
Gang Liu, Bruce G. Szczepankiewicz, Zhonghua Pei, David A. Janovick, Zhili Xin, Philip J. Hajduk, Cele Abad-Zapatero, Heng Liang, Charles W. Hutchins, Stephen W. Fesik, Steve J. Ballaron, Mike A. Stashko, Tom Lubben, Amanda K. Mika, Bradley A. Zinker, James M. Trevillyan, Michael R. Jirousek. Discovery and structure-activity relationship of oxalylarylaminobenzoic acids as inhibitors of protein tyrosine phosphatase 1B. J. Med. Chem. 46, pp. 2093-2103 (2003). 17-ID 17-BM
Vincent Stoll, Kent D. Stewart, Clarence J. Maring, Steven Muchmore, Vincent Giranda, Yu-gui Y. Gu, Gary Wang, Yuanwei Chen, Minghua Sun, Chen Zhao, April L. Kennedy, Darold L. Madigan, Yibo Xu, Ayda Saldivar, Warren Kati, Graeme Laver, Thomas Sowin, Hing L. Sham, Jonathan Greer, Dale Kempf. Influenza neuraminidase inhibitors: structure-based design of a novel inhibitor series. Biochemistry-US 42, pp. 718-727 (2003). 17-ID 17-BM
Bruce G. Szczepankiewicz, Gang Liu, Philip J. Hajduk, Cele Abad-Zapatero, Zhongua Pei, Zhili Xin, Thomas H. Lubben, James M. Trevillyan, Michael A. Stashko, Stephen J. Ballaron, Heng Liang, Flora Huang, Charles W. Hutchins, Stephen W. Fesik, Michael R. Jirousek. Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment study. J. Am. Chem. Soc. 125, pp. 4087-4096 (2003). 17-ID 17-BM
Y.Tong, N.H.Lin, L.Wang, L.Hasvold, W.Wang, N.Leonard, T.Li,Q.Li, J.Cohen, W.Z.Gu, H.Zhang, V.Stoll, J.Bauch, K.Marsh, S.H.Rosenberg, H.L.Sham. Discovery of Potent Imidazole and Cyanophenyl Containing Farnesyltransferase Inhibitors with Improved Oral Bioavailability. Bioorg. Med. Chem. Lett. 13 (9), May, pp. 1571-1574 (2003). 17-ID
1ni1
Zhili Xin, Thorsten K. Oost, Cele Abad-Zapatero, Philip J. Hajduk, Zhonghua Pei, Bruce G. Szczepankiewicz, Charles W. Hutchins, Steve J. Ballaron, Mike A. Stashko, Tom Lubben, James M. Trevillyan, Mike R. Jirousek, Gang Liu. Potent, selective inhibitors of protein tyrosine phosphatase 1B. Bioorg. Med. Chem. Lett. 13, pp. 1887-1890 (2003). 17-ID 17-BM
2002 Vincent S. Stoll, Wenying Qin, Kent D. Stewart, Clarissa Jakob, Chang Park, K. Walter, R. L. Simmer, Rosalind Helfrich, Dirk Bussiere, J. Kao, Dale Kempf, Hing L. Sham, Daniel W. Norbeck. X-ray crystallographic structure of ABT-378 (Lopinavir) bound to HIV-1 Protease. Bioorgan. Med. Chem. 10, pp. 2803-2806 (2002). 17-ID
1mui
2001
2000 Steven W. Muchmore, Jun Chen, Clarissa Jakob, Dorothy Zakula, Edmund D. Matayoshi, Wei Wu, Haichao Zhang, Fengzhi Li, Shi-Chung Ng, Dario C. Altieri. Crystal structure and mutagenic analysis of the inhibitor-of-apoptosis protein survivin. Molecular Cell 6, 1, July, pp. 173-182 (2000). 17-ID
1m4m
Vicki L. Nienaber, Paul L. Richardson, Vered Klighofer, Jennifer J. Bouska, Vincent L. Giranda, Jonathan Greer. Discovering novel ligands for macromolecules using x-ray crystallographic screening. Nature Biotechnol. 18, October, pp. 1105-1108 (2000). 17-ID
1999
1998 Bussiere, D.E.,  Pratt, S.D.,  Katz, L.,  Severin, J.M.,  Holzman, T.,  Park, C.H. The Structure of VanX Reveals a Novel Amino-Dipeptidase Involved in Mediating Transposon-Based Vancomycin Resistance. Mol. Cell v2 pp. 75-84 (1998). 17-ID
1r44
Bristol-Myers Squibb (current IMCA member, since 1990)
number of publications: 5
PDB Structures
2007 Herbert E. Klei, Kevin Kish, Pin-Fang M. Lin, Qi Guo, Jacques Friborg, Ronald E. Rose, Yaqun Zhang, Valentina Goldfarb, David R. Langley, Michael Wittekind, Steven Sheriff. X-Ray Crystal Structures of Human Immunodeficiency Virus Type 1 Protease Mutants Complexed with Atazanavir. J. Virol. 81 (17), September, 9525-9535 (2007).
DOI: 10.1128/JVI.02503-05		 17-ID
2fxd
2006 Kim, K.S.,  Lu, S.,  Cornelius, L.A.,  Lombardo, L.J.,  Borzilleri, R.M.,  Schroeder, G.M.,  Sheng, C.,  Rovnyak, G.,  Crews, D.,  Schmidt, R.J.,  Williams, D.K.,  Bhide, R.S.,  Traeger, S.C.,  McDonnell, P.A.,  Mueller, L.,  Sheriff, S.,  Newitt, J.A.,  Pudzianowski, A.T.,  Yang, Z.,  Wild, R.,  Lee, F.Y.,  Batorsky, R.,  Ryder, J.S.,  Ortega-Nanos, M.,  Shen, H.,  Gottardis, M.,  Roussell, D.L. Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors. Bioorg. Med. Chem. Lett. v16 pp.3937-3942 (2006). 17-ID
2gm1
2005 Mark E. Salvati, Aaron Balog, Weifang Shan, Donna D. Wei, Dacia Pickering, Ricardo M. Attar, Jieping Geng, Cheryl A. Rizzo, Marco M. Gottardis, Roberto Weinmann, Stanley R. Krystek, John Sack, Yongmi An, Kevin Kish. Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists. Bioorg. Med. Chem. Lett. 15 (2), January, 271-276 (2005).
DOI: 10.1016/j.bmcl.2004.10.085		 17-ID
2004
2003
2002
2001 John S. Sack, Kevin F. Kish, Chihuei Wang, Ricardo M. Attar, Susan E. Kiefer, Yongmi An, Ginger Y. Wu, Julie E. Scheffler, Mark E. Salvati, Stanley R. Krystek, Roberto Weinmann, Howard M. Einspahr. Crystallographic structures of the ligand-binding domains of the androgen receptor and its T877A mutant complexed with the natural agonist dihydrotestosterone. Proc. Natl. Acad. Sci. 98, 9, April, pp. 4904-4909 (2001). 17-ID
1iI37 1i38
2000 Janak Singh, Oak K. Kim, Thomas P. Kissick, Kenneth J. Natalie, Bo Zhang, Gerard A. Crispino, Dane M. Springer, John A. Wichtowski, Yunhui Zhang, Jason Goodrich, Yasutsugu Ueda, Bing Y. Luh, Brian D. Burke, Matthew Brown, Anthony P. Dutka, Bin Zheng, Dau-Ming Hsieh, Michael J. Humora, Jeffrey T. North, Anne J. Pullockaran, Juliya Livshits, Shankar Swaminathan, Zhinong Gao, Peter Schierling, Peter Ermann, Robert K. Perrone, Mei C. Lai, Jack Z. Gougoutas, John D. DiMarco, Joanne J. Bronson, James E. Heikes, John A. Grosso, David R. Kronenthal, Theodor W. Denzel, Richard H. Mueller. A practical synthesis of an anti-methicillin resistant Staphylococcus aureus cephalosporin BMS-247243Dane. Org. Process Res. Dev. 4, 6, pp. 488-497 (2000). 17-ID
1999
1998
Eli Lilly (current IMCA member, since 1990)
number of publications: 11
PDB Structures
2006 Yong Wang, Nickolay Y. Chirgadze, Stephen L. Briggs, Sohaib Khan, Elwood V. Jensen, Thomas P. Burris. A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor [beta]. Proc. Natl. Acad. Sci. USA 103 (26), June, 9908-9911 (2006).
DOI: 10.1073/pnas.0510596103		 17-ID
2005 Conrad W. Hummel, Andrew G. Geiser, Henry U. Bryant, Ilene R. Cohen, Robert D. Dally, Kin Chiu Fong, Scott A. Frank, Ronald Hinklin, Scott A. Jones, George Lewis, Denis J. McCann, Daniel G. Rudmann, Timothy A. Shepherd, Hongqi Tian, Owen B. Wallace, Minmin Wang, Yong Wang, Jeffrey A. Dodge. A Selective Estrogen Receptor Modulator Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats. J. Med. Chem. 48 (22), October, 6772-6775 (2005).
DOI: 10.1021/jm050723z S0022-2623(05)00723-5		 17-BM
1ayr
2004 Shu-Hui Chen, Jason Lamar, Deqi Guo, Todd Kohn, Hsiu-Chiung Yang, James McGee, David Timm, Jon Erickson, Yvonne Yip, Patrick May, James McCarthy. P3 cap modified Phe*-Ala series BACE inhibitors. Bioorg. Med. Chem. Lett. 14, 245-250 (2004). 17-ID
Chafiq Hamdouchi, Heather Keyser, Elizabeth Collins, Carlos Jaramillo, Jose Eugenio De Diego, Charles D. Spencer, Jack Alan Dempsey, Bryan D. Anderson, Tillie Leggett, Nancy B. Stamm, Richard M. Schultz, Scott A. Watkins, Kim Cocke, Stephanie Lemke, Teresa F. Burke, Richard P. Beckmann, Jeffrey T. Dixon, Thomas M. Gurganus, Nancy B. Rankl, Keith A. Houck, Faming Zhang, Michal Vieth, Juan Espinosa, David E. Timm, Robert M. Campbell, Bharvin K. R. Patel, Harold B. Brooks. The discovery of a new structural class of cycllin-dependent kinase inhibitors, aminoimidazo[1,2-a]pyridines. Mol. cancer Ther. 3, 1-9 (2004). 17-ID 17-BM
Carlos Jaramillo, J. Eugenio de Diego, Chafiq Hamdouchi, Elizabeth Collins, Heather Keyser, Concha Sanchez-Martinez, Miriam del Prado, Bryan Norman, Harold B. Brooks, Scott A. Watkins, Charles D. Spencer, Jack Alan Dempsey, Bryan D. Anderson, Robert M. Campbell, Tillie Leggett, Bharvin Patel, Richard M. Schultz, Juan Espinosa, Michal Vieth, Faming Zhang, David E. Timm. Aminoimidazo[1,2-a]pyridines as a new structural class of cyclin-dependent kinase inhibitors. Part 1: Design, synthesis and biological evaluation. Bioorg. Med. Chem. Lett. 14, 6095-6099 (2004). 17-ID 17-BM
Jason Lamar, Jingdaan Hu, Ana Belen Bueno, Hsiu-Chiung Yang, Deqi Guo, James D. Copp, James McGee, Bruce Gitter, David Timm, Patrick May, James McCarthy, Shu-Hui Chen. Phe*-Ala-based pentapeptide minmetics are BACE inhibitors: P2 and P3 SAR. Bioorg. Med. Chem. Lett. 14, 239-243 (2004). 17-ID 17-BM
J.S. Sawyer, D.W. Beight, K.S. Britt, B.D. Anderson, R.M. Campbell, T. Goodson, Jr., D.K. Herron, H.Y. Li, W.T. Mcmillen, N. Mort, S. Parsons, E. Smith, J.R. Wagner, L. Yan, F. Zhang, J.M. Yingling. Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain. Bioorg. Med. Chem. Lett. 14 (13), July, 3581-3584 (2004). 17-ID
2003 Jingdan Hu, Cynthia L. Cwi, David L. Smiley, David Timm, Jon A. Erickson, James E. McGee, Hsiu-Chiung Yang, David Mendel, Patrick C. May, Mike Shapiro, James R. McCarthy. Design and Synthesis of Statine-Containing BACE Inhibitors. Bioorg. Med. Chem. Lett. 13, 4335-4339 (2003). 17-BM
A.M.Leduc, J.O.Trent, J.L.Wittliff, K.S.Bramlett, S.L.Briggs, N.Y.Chirgadze, Y.Wang, T.P.Burris, A.F.Spatola. Helix-Stabilized Cyclic Peptides as Selective Inhibitors of Steroid Receptor-Coactivator Interactions. Proc. Nat. Acad. Sci. USA 100 (20), September, 11273-11278 (2003). 17-BM
1pcg
2002
2001
2000 Nickolay Y. Chirgadze, Steven L. Briggs, Kelly A. McAllister, Anthony S. Fischl, Genshi Zhao. Crystal structure of Streptococcus pneumoniae acyl carrier protein synthase: an essential enzyme in bacterial fatty acid biosynthesis. EMBO J. 19, 20, pp. 5281-5287 (2000). 17-ID
1fte 1ftf 1fth
Lei Jin, Steven L. Briggs, Srinivasan Chandrasekhar, Nickolay Y. Chirgadze, David K. Clawson , Richard W. Schevitz, David L. Smiley, Armen H. Tashjian, Faming Zhang. Crystal structure of human parathyroid hormone 1-34 at 0.9-A resolution. J. Biol. Chem. 275, 35, September, pp. 27238-27244 (2000). 17-ID
1et1
1999
1998
GlaxoSmithKline (current IMCA member, since 2001; formerly GlaxoWellcome and SmithKline Beecham)
number of publications: 59 site
PDB Structures
2007 Emily B. Askew, Robert T. Gampe, Jr., Thomas B. Stanley, Jonathan L. Faggart, Elizabeth M. Wilson. Modulation of Androgen Receptor Activation Function 2 by Testosterone and Dihydrotestosterone. J. Biol. Chem. 282 (35), August, 25801-25816 (2007).
DOI: 10.1074/jbc.M703268200		 NC 17-BM
2q7i 2q7j 2q7l
Kevin P. Madauss, Eugene T. Grygielko, Su-Jun Deng, Anthony C. Sulpizio, Thomas B. Stanley, Charlene Wu, Steve A. Short, Scott K. Thompson, Eugene L. Stewart, Nicholas J. Laping, Shawn P. Williams, Jeffrey D. Bray. A Structural and in vitro Characterization of Asoprisnil: A Selective Progesterone Receptor Modulator. Mol. Endocrinol. 21 (5), May, 1066-1081 (2007).
DOI: 10.1210/me.2006-0524		 NC 17-ID
2ovh
Joseph P. Marino, Jr., Paul W. Fisher, Glenn A. Hofmann, Robert B. Kirkpatrick, Cheryl A. Janson, Randall K. Johnson, Chun Ma, Michael Mattern, Thomas D. Meek, M. Dominic Ryan, Christina Schulz, Ward W. Smith, David G. Tew, Thaddeus A. Tomazek, Jr., Daniel F. Veber, Wenfang C. Xiong, Yuuichi Yamamoto, Keizo Yamashita, Guang Yang, Scott K. Thompson, "Highly Potent Inhibitors of Methionine Aminopeptidase-2 Based on a 1,2,4-Triazole Pharmacophore," J. Med. Chem. 50 (16), 3777-3785 (2007).
DOI: 10.1021/jm061182w		 PA 17-ID
2oaz
2006 Adkison, K.K., Barrett, D.G., Deaton, D.N., Gampe, R.T., Hassell, A.M., Long, S.T., McFadyen, R.B., Miller, A.B., Miller, L.R., Payne, J.A., Shewchuk, L.M., Wells-Knecht, K.J., Willard, D.H., Jr., and Wright, L.L. Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg. Med. Chem. Lett. 16, 978-983 (2006). NC 17-ID
Barrett, D.G., Catalano, J.G.,Deaton, D.N.,Hassell, A.M.,Long, S.T.,Miller, A.B.,Miller, L.R.,Ray, J.A.,Samano, V.,Shewchuk, L.M.,Wells-Knecht, K.J.,Willard Jr., D.H.,Wright, L.L. Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg. Med. Chem. Lett. v16 pp.1735-1739 (2006).
DOI: 10.1016/j.bmcl.2005.11.101		 NC 17-ID
2bdl
Chao, E.Y.,  Collins, J.L.,  Gaillard, S.,  Miller, A.B.,  Wang, L.,  Orband-Miller, L.A.,  Nolte, R.T.,  McDonnell, D.P.,  Willson, T.M.,  Zuercher, W.J. Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma. Bioorg.Med.Chem.Lett. v16 pp.821-824 (2006).
DOI: 10.1016/j.bmcl.2005.11.030 		NC 17-ID
2ewp
He, B., Gampe, R.T., Jr., Hnat, A.T., Faggart, J.L., Minges, J.T., French, F.S., and Wilson, E.M. Probing the functional link between androgen receptor coactivator and ligand-binding sites in prostate cancer and androgen insensitivity. J. Biol. Chem. 281, 6648-6663 (2006). NC 17-ID
John F. Miller, C. Webster Andrews, Michael Brieger, Eric S. Furfine, Michael R. Hale, Mary H. Hanlon, Richard J. Hazen, Istvan Kaldor, Ed W. McLean, David Reynolds, Douglas M. Sammond, Andrew Spaltenstein, Roger Tung, Elizabeth M. Turner, Robert X. Xu, Ronald G. Sherrill. Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385. Bioorg. Med. Chem. Lett. 16 (7), April, 1788-1794 (2006).
DOI: 10.1016/j.bmcl.2006.01.035		 NC 17-ID
R. Tedesco, A. Shaw, R. Bambal, D. Chai, N. Concha, M. Darcy, D. Dhanak, D. Fitch, A. Gates, W. Gerhardt, D. Halegoua, C. Han, G. Hofmann, V. Johnston, A. Kaura, N. Liu, R. Keenan, J. Lin-Goerke, R. Sarisky, K. Wiggall, M. Zimmerman, K. Duffy. 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, Potent Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase. J. Med. Chem. 49 (3), February, 971-983 (2006).
DOI: 10.1021/jm050855s		 PA
2fvc
Liping Wang, William J. Zuercher, Thomas G. Consler, Millard H. Lambert, Aaron B. Miller, Lisa A. Orband-Miller, David D. McKee, Timothy M. Willson, Robert T. Nolte. X-ray Crystal Structures of the Estrogen-related Receptor-[gamma] Ligand Binding Domain in Three Functional States Reveal the Molecular Basis of Small Molecule Regulation. J. Biol. Chem. 281 (49), December, 37773-37781 (2006).
DOI: 10.1074/jbc.M608410200		 NC 17-ID
2gp7 2gpo 2gpp
2gpu 2gpv
D.S. Yamashita, R.W. Marquis, R. Xie, S.D. Nidamarthy, H. Oh, J.U. Jeong, K.F. Erhard, K.W. Ward, T.J. Roethke, B.R. Smith, H-Y. Cheng, X. Geng, F. Lin, P.H. Offen, B. Wang, N. Nevins, M.S. Head, R.C. Haltiwanger, A. Sarjeant, L.M. Liable-Sands, B. Zhoa, W.W. Smith, C.A. Janson, E. Goa, T. Tomaszek, M. McQueney, I.E. James, C.J. Gress, D.L. Zembryki, M.W. Lark, D.F. Veber, Structure Activity Relationships of 5-, 6-, and 7-Methyl-Substituted Azepan-3-one Cathepsin K Inhibitors. J. Med. Chem. 49, 1597-1612 (2006).
DOI: 10.1021/jm050915u		 PA 17-ID 2ftd-hold
2005 Barrett, D.G., Boncek, V.M., Catalano, J.G., Deaton, D.N., Hassell, A.M., Jurgensen, C.H., Long, S.T., McFadyen, R.B., Miller, A.B., Miller, L.R., Payne, J.A., Ray, J.A., Samano, V., Shewchuk, L.M., Tavares, F.X., Wells-Knecht, K.J., Willard, D.H., Jr., Wright, L.L., and Zhou, H.Q. P2-P3 conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg. Med. Chem. Lett. 15, 3540-3546 (2005).
DOI: 10.1016/j.bmcl.2005.05.062 		NC 17-ID
David G. Barrett, David N. Deaton, Anne M. Hassell, Robert B. McFadyen, Aaron B. Miller, Larry R. Miller, J.Alan Payne, Lisa M. Shewchuk, Derril H. Willard, Jr., Lois L. Wright. Acyclic cyanamide-based inhibitors of cathepsin K. Bioorg. Med. Chem. Lett. 15 (12), June, 3039-3043 (2005).
DOI: 10.1016/j.bmcl.2005.04.032 		NC 17-BM
Randy K. Bledsoe, Kevin P. Madauss, Jason A. Holt, Christopher J. Apolito, Millard H. Lambert, Kenneth H. Pearce, Thomas B. Stanley, Eugene L. Stewart, Ryan P. Trump, Timothy M. Willson, Shawn P. Williams. A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor. J. Biol. Chem. 28035, September, 31283-31293 (2005). NC 17-ID
Deaton, D.N., Hassell, A.M., McFadyen, R.B., Miller, A.B., Miller, L.R., Shewchuk, L.M., Tavares, F.X., Willard, D.H., Jr., and Wright, L.L. Novel and potent cyclic cyanamide-based cathepsin K inhibitors. Bioorg. Med. Chem. Lett. 15, 1815-1819 (2005).
DOI: 10.1016/j.bmcl.2005.02.033		 NC 17-ID
Philip A. Harris, Mui Cheung, Robert N. Hunter III, Matthew L. Brown, James M. Veal, Robert T. Nolte, Liping Wang, Wendy Liu, Renae M. Crosby, Jennifer H. Johnson, Andrea H. Epperly, Rakesh Kumar, Deirdre K. Luttrell, Jeffrey A. Stafford. Discovery and Evaluation of 2-Anilino-5-aryloxazoles as a Novel Class of VEGFR2 Kinase Inhibitors. J. Med. Chem. 48 (5), February, 1610-1610 (2005). NC 17-ID
Michael C. Jaye, John A. Krawiec, Nino Campobasso, Angela Smallwood, Chunyan Qiu, Quinn Lu, John J. Kerrigan, Maite De Los Frailes Alvaro, Bryan Laffitte, Wu-Schyong Liu, Joseph P. Marino, Jr., Craig R. Meyer, Jason A. Nichols, Derek J. Parks, Paloma Perez, Lea Sarov-Blat, Sheila D. Seepersaud, Klaudia M. Steplewski, Scott K. Thompson, Ping Wang, Mike A. Watson, Christine L. Webb, David Haigh, Justin A. Caravella, Colin H. Macphee, Timothy M. Willson, Jon L. Collins. Discovery of Substituted Maleimides as Liver X Receptor Agonists and Determination of a Ligand-Bound Crystal Structure. J. Med. Chem. 48 (17), August, 5419-5422 (2005). PA 17-ID
Jones, D.G., Liang, X., Stewart, E.L., Noe, R.A., Kallander, L.S., Madauss, K.P., Williams, S.P., Thompson, S.K., Gray, D.W., and Hoekstra, W.J. Discovery of non-steroidal mifepristone mimetics: pyrazoline-based PR antagonists. Bioorg. Med. Chem. Lett. 15, 3203-3206 (2005).
DOI: 10.1016/j.bmcl.2005.05.00 		NC 17-ID
Lara S. Kallander, Qing Lu, Wenfang Chen, Thaddeus Tomaszek, Guang Yang, David Tew, Thomas D. Meek, Glenn A. Hofmann, Christina K. Schulz-Pritchard, Ward W. Smith, Cheryl A. Janson, M.Dominic Ryan, Gui-Feng Zhang, Kyung O. Johanson, Robert B. Kirkpatrick, Thau F. Ho, Paul W. Fisher, Michael R. Mattern, Randall K. Johnson, Michael J. Hansbury, James D. Winkler, Keith W. Ward, Daniel F. Veber, Scott K. Thompson. 4-Aryl-1,2,3-triazole: A Novel Template for a Reversible Methionine Aminopeptidase 2 Inhibitor, Optimized To Inhibit Angiogenesis in Vivo. J. Med. Chem. 48 (18), August, 5644-5647 (2005). PA 17-ID
Irina N. Krylova, Elena P. Sablin, Jamie Moore, Robert X. Xu, Gregory M. Waitt, J.Andrew MacKay, Dalia Juzumiene, Jane M. Bynum, Kevin Madauss, Valerie Montana, Lioudmila Lebedeva, Miyuki Suzawa, Jon D. Williams, Shawn P. Williams, Rodney K. Guy, Joseph W. Thornton, Robert J. Fletterick, Timothy M. Willson, Holly A. Ingraham. Structural Analyses Reveal Phosphatidyl Inositols as Ligands for the NR5 Orphan Receptors SF-1 and LRH-1. Cell 123 (3), February, 343-355 (2005). NC 17-ID
Yasushi Miyazaki, Shinichiro Matsunaga, Jun Tang, Yutaka Maeda, Masato Nakano, RocherJ. Philippe, Megumi Shibahara, Wei Liu, Hideyuki Sato, Liping Wang, Robert T. Nolte. Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors. Bioorg. Med. Chem. Lett. 15 (9), May, 2203-2207 (2005).
DOI: 10.1016/j.bmcl.2005.03.034		 NC 17-ID
Xiayang Qiu, Anthony E. Choudhry, Cheryl A. Janson, Michael Grooms, Robert A. Daines, John T. Lonsdale, Sanjay S. Khandekar. Crystal structure and substrate specificity of the[beta]-ketoacyl-acyl carrier protein synthase III (FabH) from Staphylococcus aureus. Protein Sci. 14, June, 2087-2094 (2005). PA 17-ID
Sammond, D.M., Nailor, K.E., Veal, J.M., Nolte, R.T., Wang, L., Knick, V.B., Rudolph, S.K., Truesdale, A.T., Nartey, E.N., Stafford, J.A., Kumar, R., and Cheung, M. Discovery of a novel and potent series of dianilinopyrimidineurea and urea isostere inhibitors of VEGFR2 tyrosine kinase. Bioorg. Med. Chem. Lett. 15, 3519-3523 (2005).
DOI: 10.1016/j.bmcl.2005.05.096		 NC 17-ID
2004 David G. Barrett, John G. Catalano, David N. Deaton, Anne M. Hassell, Stacey T. Long, Aaron B. Miller, Larry R. Miller, Lisa M. Shewchuk, Kevin J. Wells-Knecht, Derril H. Willard, Jr., Lois L. Wright. Potent and selective P[superscript 2]–P[superscript 3] ketoamide inhibitors of cathepsin K with good pharmacokinetic properties via favorable P[superscript 1'], P[superscript 1], and/or P[superscript 3] substitutions. Bioorg. Med. Chem. Lett. 14 (19), 4897-4902 (2004). NC 17-ID
Eric E. Boros, David N. Deaton, Anne M. Hassell, Robert B. McFadyen, Aaron B. Miller, Larry R. Miller, Margot G. Paulick, Lisa M. Shewchuk, James B. Thompson, Derril H. Willard, Jr., Lois L. Wright. Exploration of the P2–P3 SAR of aldehyde cathepsin K inhibitors. Bioorg. Med. Chem. Lett. 14 (13), 3425-3429 (2004). NC 17-ID
John G. Catalano, David N. Deaton, Eric S. Furfine, Annie M. Hassell, Robert B. McFadyen, Aaron B. Miller, Larry R. Miller, Lisa M. Shewchuk, Derril H. Willard, Jr., Lois L. Wright. Exploration of the P1 SAR of aldehyde cathepsin K inhibitors. Bioorg. Med. Chem. Lett. 14 (1), 272-278 (2004). NC 17-ID
Curt D. Haffner, James M. Lenhard, Aaron B. Miller, Darryl L. McDougald, Kate Dwornik, Olivia R. Ittoop, Robert. Gampe, Jr., H.Eric Xu, Steve Blanchard, Valerie G. Montana, Tom G. Consler, Randy K. Bledsoe, Andrea Ayscue, Dallas Croom. Structure-Based Design of Potent Retinoid X Receptor [alpha ] Agonists. J. Med. Chem. 47 (8), February, 2010-2029 (2004). NC 17-ID
Bin He, Robert T. Gampe, Adam J. Kole, Andrew T. Hnat, Thomas B. Stanley, Gang An, Eugene L. Stewart, Rebecca I. Kalman, John T. Minges, Elizabeth M. Wilson. Structural Basis for Androgen Receptor Interdomain and Coactivator Interactions Suggests a Transition in Nuclear Receptor Activation Function Dominance. Mol. Cell 16 (3), November, 425-438 (2004). NC 17-ID
Kevin P. Madauss, Su-Jun Deng, Robert J.H. Austin, Millard H. Lambert, Iain McLay, John Pritchard, Steven A. Short, Eugene L. Stewart, IanJ. Uings, Shawn P. Williams. Progesterone Receptor Ligand Binding Pocket Flexibility: Crystal Structures of the Norethindrone and Mometasone Furoate Complexes. J. Med. Chem. 47 (13), 3381-3387 (2004). NC 17-ID
Kevin Madauss, Dalia Juzumiene, Greg Waitt, Jon Williams, Shawn Williams. Generation and Characterization of Human Steroidogenic Factor 1 LBD Crystals with and without Bound Cofactor Peptide. Endocr. Res. 30 (4), 775-785 (2004). NC 17-ID
Francis X. Tavares, Virginia Boncek, David N. Deaton, Anne M. Hassell, Stacey T. Long, Aaron B. Miller, Alan A. Payne, Larry R. Miller, Lisa M. Shewchuk, Kevin Wells-Knecht, Derril H. Willard, Jr., Lois L. Wright, Hui-Qiang Zhou. Design of Potent, Selective, and Orally Bioavailable Inhibitors of Cysteine Protease Cathepsin K. J. Med. Chem. 47 (3), 588-599 (2004). NC 17-ID
Edgar R. Wood, Anne T. Truesdale, Octerloney B. McDonald, Derek Yuan, Anne Hassell, Scott H. Dickerson, Byron Ellis, Christopher Pennisi, Earnest Horne, Karen Lackey, Krystal J. Alligood, David W. Rusnak, Tona M. Gilmer, Lisa Shewchuk. A Unique Structure for Epidermal Growth Factor Receptor Bound to GW572016 (Lapatinib): Relationships among Protein Conformation, Inhibitor Off-Rate, and Receptor Activity in Tumor Cells. Cancer Res. 64 (18), 6652-6659 (2004). NC 17-ID
Robert X. Xu, Millard H. Lambert, Bruce B. Wisely, Erin N. Warren, Emily E. Weinert, Gregory M. Waitt, Jon D. Williams, Jon L. Collins, Linda B. Moore, Timothy M. Willson, John T. Moore. A Structural Basis for Constitutive Activity in the Human CAR/RXR[alpha] Heterodimer. Mol. Cell 16 (6), December, 919-928 (2004). NC 17-ID
Robert X. Xu, Warren J. Rocque, Millard H. Lambert, Dana E. Vanderwall, Michael A. Luther, Robert T. Nolte. Crystal Structures of the Catalytic Domain of Phosphodiesterase 4B Complexed with AMP, 8-Br-AMP, and Rolipram. J. Mol. Biol. 337 (2), 355-365 (2004). NC 17-ID
Nino Campobasso, Mehul Patel, Imogen E. Wilding, Howard Kallender, Martin Rosenberg, Micheal N. Gwynn. Staphylococcus aureus 3-Hydroxy-3-methylglutaryl-CoA Synthase. J. Biol. Chem.. vol. 279, no. 43, pp. 44883-44888, (2004). PA 17-ID
Francoise Gellibert, James Woolven, Marie-Helene Fouchet, Neil Mathews, Helen Goodland, Victoria Lovegrove, Alain Laroze, Van-Loc Nguyen, Stephane Sautet, Ruolan Wang, Cheryl Janson, Ward Smith, Gael Krysa, Valerie Boullay, Anne-Charlotte de Gouville, Stephane Huet, David Hartley. Identification of 1,5-Naphthyridine Derivatives as a Novel Series of Potent and Selective TGF-[beta] Type I Receptor Inhibitors. J. Med. Chem. 47 (18), 4494-4506 (2004). PA 17-ID
Xiayang Qiu, Cheryl A. Janson. Structure of apo acyl carrier protein and a proposal to engineer protein crystallization through metal ions. Biological Crystallography 60 (9), May, 1545-1554 (2004). PA 17-ID
2003 Keith D. Baker, Lisa M. Shewchuk, Tatiana Kozlova, Makoto Makishima, Annie Hassell, Bruce Wisely, Justin A. Caravella, Millard H. Lambert, Jeffrey L. Reinking, Henry Krause, Carl S. Thummel, Timothy M. Willson, David J. Mangelsdorf. The Drosophila orphan nuclear receptor DHR38 mediates an atypical ecdysteroid signaling pathway. Cell 113 (6), June, 731-742 (2003). NC 17-ID
Jason A. Holt, Thomas G. Consler, Shawn P. Williams, Andrea H. Ayscue, Lisa M. Leesnitzer, G. Bruce Wisely, Andrew N. Billin. Helix 1/8 Interactions Influence the Activity of Nuclear Receptor Ligand-Binding Domains. Mol. Endocrinol. 17 (9), September, 1704-1714 (2003). NC 17-ID
Shawn Williams, Randy K. Bledsoe, Jon L. Collins, Sharon Boggs, Millard H. Lambert, Ann B. Miller, John Moore, David D. McKee, Linda Moore, Jason Nichols, Derek Parks, Mike Watson, Bruce Wisely, Timothy M. Willson. X-ray Crystal Structure of the Liver X Receptor Beta Ligand Binding Domain: Regulation by a Histidine-Tryptophan Switch. J. Biol. Chem. 278 (29), July, 27138-27143 (2003). NC 17-ID
Robert A. Daines, Israel Pendrak, Kelvin Sham, Glenn S. Van Aller, Alex K. Konstantinidis, John T. Lonsdale, Cheryl A. Janson, Xiayang Qiu, Martin Brandt, Sanjay S. Khandekar, Carol Silverman, Martha S. Head. First x-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling. J. Med. Chem. 46, pp. 5-8 (2003). PA 17-ID 17-BM
Patricia A. Elkins, Joseph M. Watts, Magdalena Zalacain, Adan van Thiel, PatrikR. Vitazka, Maria Redlak, Cecile Andraos-Selim, Fraydoon Rastinejad, Walter M. Holmes. Insights into Catalysis by a Knotted TrmD tRNA Methyltransferase. J. Mol. Biol. 333, pp. 931-949 (2003). PA 17-ID
Mark A. Seefeld, William H. Miller, Kenneth A. Newlander, Walter J. Burgess, Walter E. DeWolf Jr., Patricia A. Elkins, Martha S. Head, D. R. Jakas, Cheryl A. Janson, Paul M. Keller, P. J. Manley, Terrance D. Moore, David J. Payne, S. Pearson, B. J. Polizzi, Xiayang Qiu, S. F. Rittenhouse, I. N. Uzinskas, N. G. Wallis, W. F. Huffman. Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-Acp Reductases Fabi and Fabk. J. Med. Chem. Lett. 46, pp. 1627-1635 (2003). PA 17-ID
1mpf
2002 Randy K. Bledsoe, Valerie G. Montana, Thomas B. Stanley, Chris J. Delves, Christopher J. Apolito, David D. McKee, Thomas G. Consler, Derek J. Parks, Eugene L. Stewart, Timothy M. Willson, Millard H. Lambert, John T. Moore, Kenneth H. Pearce, H. Eric Xu. Crystal structure of the glucocorticoid receptor ligand binding domain reveals a novel mode of receptor dimerization and coactivator recognition . Cell 110, July, pp. 93-105 (2002). NC 17-ID
Brad R. Henke, Thomas G. Consler, Ning Go, Ron L. Hale, Dana R. Hohman, Stacey A. Jones, Amy T. Lu, Linda B. Moore, John T. Moore, Lisa A. Orband-Miller, R. Graham Robinett, Jean Shearin, Paul K. Spearing, Eugene L. Stewart, Philip S. Turnbull, Susan L. Weaver, Shawn P. Williams, G. Bruce Wisely, Millard H. Lambert. A new series of estrogen receptor modulators that display selectivity for estrogen receptor beta . J. Med. Chem. 45, pp. 5492-5505 (2002). NC 17-ID 17-BM
G. Bruce Wisely, Ann B. Miller, Roderick G. Davis, Alan D. Thornquest, Robert Johnson, Tim Spitzer, Andrea Sefler, Barry Shearer, John T. Moore, Aaron B. Miller, Timothy M. Willson, Shawn P. Williams. Hepatocyte nuclear factor 4 is a transcription factor that constitutively binds fatty acids. Structure 10, 9, September, pp. 1225-1234 (2002). NC 17-ID
H. Eric Xu, Thomas B. Stanley, Valerie G. Montana, Millard H. Lambert, Barry G. Shearer, Jeffery E. Cobb, David D. McKee, Christin M. Galardi, Kelli D. Plunket, Robert T. Nolte, Derek J. Parks, John T. Moore, Steven A. Kliewer, Timothy M. Willson, Julie B. Stimmel. Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPAR. Nature 415, February, pp. 813-817 (2002). NC 17-ID
1kkq
William H. Miller, Mark A. Seefeld, Kenneth A. Newlander, Irene N. Uzinskas, Walter J. Burgess, Dirk A. Heering, Catherine C. K. Yuan, Martha S. Head, David J. Payne, Stephen F. Rittenhouse, Terrance D. Moore, Stewart C. Pearson, Valerie Berry, Walter E. DeWolf Jr., Paul M. Keller, Brian J. Polizzi, Xiayang Qiu, Cheryl A. Janson, William F. Huffman. Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI). J. Med. Chem 45, pp. 3246-3256 (2002).  PA 17-ID
David J. Payne, William H. Miller, Valerie Berry, John Brosky, Walter J. Burgess, Emile Chen, Walter E. DeWolf Jr., Andrew P. Fosberry, Rebecca Greenwood, Martha S. Head, Dirk A. Heerding, Cheryl A. Janson, Deborah D. Jaworski, Paul M. Keller, Peter J. Manley, Terrance D. Moore, Kenneth A. Newlander, Stewart Pearson, Brian J. Polizzi, Xiayang Qiu, Stephen F. Rittenhouse, Courtney Slater-Radosti, Kevin L. Salyers, Mark A. Seefeld, Martin G. Smyth, Dennis T. Takata, Irene N. Uzinskas, Kalindi Vaidya, Nicola G. Wallis, Scott B. Winram, Catherine C. K. Yuan, William F. Huffman. Discovery of a novel and potent class of FabI-directed antibacterial agents. Antimicrob. Agents Ch. 46, 10, October, pp. 3118-3124 (2002).  PA 17-ID 17-BM
Baoguang Zhao, Michael J. Bower, Patrick J. McDevitt, Huizhen Zhao, Stephen T. Davis, Kyung O. Johanson, Susan M. Green, Nestor O. Concha, Bin-Bing S. Zhou. Structural basis for Chk1 inhibition by UCN-01. J. Biol. Chem. 277, 48, November, pp. 46609-46615 (2002).  PA 17-ID 17-BM
2001 H. Neal Bramson, John Corona, Stephen T. Davis, Scott H. Dickerson, Mark Edelstein, Stephen V. Frye, Robert T. Gampe Jr., Phil A. Harris, Anne Hassell, William D. Holmes, Robert N. Hunter, Karen E. Lackey, Brett Lovejoy, Michael J. Luzzio, Val Montana, Warren J. Roque, David Rusnak, Lisa Shewchuk, James M. Veal, Duncan H. Walker, Lee F. Kuyper. Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and x-ray crystallographic analysis. J. Med. Chem. 44, pp. 4339-4358 (2001). NC 17-ID 17-BM
Brian G. Miller, Glenn L. Butterfoss, Steven A. Short, Richard Wolfenden. Role of enzyme-ribofuranosyl contacts in the ground state and transition state for orotidine 5'-phosphate decarboxylase: a role for substrate destabilization. Biochemistry-US 40, pp. 6227-6232 (2001). NC 17-ID 17-BM
Ryan E. Watkins, G. Bruce Wisely, Linda B. Moore, Jon L. Collins, Millard H. Lambert, Shawn P. Williams, Steven A. Kliewer, Matthew R. Redinbo. The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity. Science 292, pp. 2329-2333 (2001). NC 17-ID
H. Eric Xu, Millard H. Lambert, Valerie G. Montana, Kelli D. Plunket, Linda B. Moore, Jon L. Collins, Jeffery A. Oplinger, Steven A. Kliewer, Robert T. Gampe Jr., David D. McKee, John T. Moore, Timothy M. Willson. Structural determinants of ligand binding selectivity between the peroxisome proliferators-activited receptors. Proc. Natl. Acad. Sci 98, 24, November, pp. 13919-13924 (2001). NC 17-ID
1k74 1k7l
Dirk A. Heerding, George Chan, Walter E. DeWolf Jr., Andrew P. Fosberry, Cheryl A. Janson, Deborah D. Jaworski, Edward McManus, William H. Miller, Terrance D. Moore, David J. Payne, Xiayang Qiu, Stephen F. Rittenhouse, Courtney Slater-Radosti, Ward Smith, Dennis T. Takata, Kalindi S. Vaidya, Catherine C.K. Yuan, William F. Huffman. 1,4-disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI). Bioorg. Med. Chem. Lett. 11, pp. 2061-2065 (2001). PA 17-ID
1i2z 1i30
Robert W. Marquis, Yu Ru, Steven M. LoCastro, Jin Zeng, Dennis S. Yamashita, Hye-Ja Oh, Karl F. Erhard, Larry D. Davis, Thaddeus A. Tomaszek, David Tew, Kevin Salyers, Joel Proksch, Keith Ward, Brian Smith, Mark Levy, Maxwell D. Cummings, R. Curtis Haltiwanger, Gudrun Trescher, Bing Wang, Mark E. Hemling, Chad J. Quinn, H-Y. Cheng, Fan Lin, Ward W. Smith, Cheryl A. Janson, Baoguang Zhao, Michael S. McQueney, Karla D'Alessio, Chao-Pin Lin, Antonia Marzulli, Robert A. Dodds, Simon Blake, Shing-Mei Hwang, Ian E. James, Catherine J. Gress, Brian R. Bradley, Michael W. Lark, Maxine Gowen, Daniel F. Veber. Azepanone-based inhibitors of human and rat cathepsin K. J. Med. Chem. 44, pp. 1380-1395 (2001). PA 17-ID 17-BM
1nl6 1nlj
Robert W. Marquis, Yu Ru, Jin Zeng, Robert E. Lee Trout, Stephen M. LoCastro, Andrew D. Gribble, Jason Witherington, Ashley E. Fenwick, Benedicte Garnier, Thaddeus Tomaszek, David Tew, Mark E. Hemling, Chad J. Quinn, Ward W. Smith, Baoguang Zhao, Michael S. McQueney, Cheryl A. Janson, Karla D'Alessio, Daniel F. Veber. Cyclic ketone inhbitors of the cysteine protease cathepsin K. J. Med. Chem. 44, pp. 725-736 (2001). PA 17-ID 17-BM
Xiayang Qiu, Cheryl A. Janson, Ward W. Smith, Susan M. Green, Patrick McDevitt, Kyung Johanson, Paul Carter, Martin Hibbs, Ceri Lewis, Alison Chalker, Andrew Fosberry, Judith Lalonde, John Berge, Pamela Brown, Catherine S.V. Houge-Frydrych, Richard L. Jarvest. Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors. Protein Science 10, pp. 2008-2016 (2001). PA 17-ID
Mark A. Seefeld, William H. Miller, Kenneth A. Newlander, Walter J. Burgess, David J. Payne, Stephen F. Rittenhouse, Terrance D. Moore, Walter E. DeWolf Jr., Paul M. Keller, Xiayang Qiu, Cheryl A. Janson, Kalindi Vaidya, Andrew P. Fosberry, Martin G. Smyth, Deborah D. Jaworski, Courtney Slater-Radosti, William F. Huffman. Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents. Bioorg. Med. Chem. Lett. 11, pp. 2241-2244 (2001). PA 17-ID
GlaxoWellcome (IMCA member 1996 - 2001 when merged with SmithKline Beecham to form GlaxoSmithKline; joined in 1991 as Glaxo; merged in 1996 with Burroughs Wellcome)
number of publications: 10
PDB Structures
2001 Stephen T. Davis, Bill G. Benson, H. Neal Bramson, Dennis E. Chapman, Scott H. Dickerson, Karen M. Dold, Derek J. Eberwein, Mark Edelstein, Stephen V. Frye, Robert T. Gampe, Robert J. Griffin, Philip A. Harris, Anne M. Hassell, William D. Holmes, Robert N. Hunter, Victoria B. Knick, Karen Lackey, Brett Lovejoy, Michael J. Luzzio, Doris Murray, Patricia Parker, Warren J. Rocque, Lisa Shewchuk, James M. Veal, Duncan H. Walker, Lee F. Kuyper. Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors. Science 291, pp. 134-137 (2001). 17-ID
1fvv
2000 Robert T. Gampe, Valerie G. Montana, Millard H. Lambert, Aaron B. Miller, Randy K. Bledsoe, Michael V. Milburn, Steven A. Kliewer, Timothy M. Willson, H. Eric Xu. Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors. Molecular Cell 5, 3, March, pp. 545-555 (2000). 17-ID
1fm6 1fm9
Robert T. Gampe, Valerie G. Montana, Millard H. Lambert , G. Bruce Wisely, Michael V. Milburn, H. Eric Xu. Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix. Gene Dev. 14, 17, October, pp. 2229-2241 (2000). 17-ID
1g1u 1g5y
Brian G. Miller, Anne M. Hassell, Richard Wolfenden, Michael V. Milburn, Steven A. Short. Anatomy of a proficient enzyme: the structure of orotidine 5'-monophosphate decarboxylase in the presence and absence of a potential transition state analog. Proc. Natl. Acad. Sci. 97, 5, February, pp. 2011-2016 (2000). 17-ID 17-BM
Brian G. Miller, Mark J. Snider, Steven A. Short, Richard Wolfenden. Contribution of enzyme-phosphoribosyl contacts to catalysis by orotidine 5'-phosphate decarboxylase,. Biochemistry-US 39, 28, July, pp. 8113-8118 (2000). 17-ID
Lisa M. Shewchuk, Anne M. Hassell, Byron Ellis, William D. Holmes, Roderick Davis, Earnest L. Horne, Sue K. Kadwell, David D. McKee, John T. Moore. Structure of the Tie2 RTK domain: self-inhibition by the nucleotide binding loop, activation loop, and C-terminal tail. Structure Fold. Des. 8, November, pp. 1105-1113 (2000). 17-ID
1fvR
Lisa Shewchuk, Anne Hassell, Bruce Wisely, Warren Rocque, William Holmes, James Veal, Lee F. Kuyper. Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: x-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase. J. Med. Chem. 43, 1, pp. 133-138 (2000). 17-ID
Robert X. Xu, Anne M. Hassell, Dana Vanderwall, Millard H. Lambert, William D. Holmes, Michael A. Luther, Warren J. Rocque, Michael V. Milburn, Yingdong Zhao, Hengming Ke, Robert T. Nolte. Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity. Science 288, June, pp. 1822-1825 (2000). 17-ID
1f0j
1999 Jennifer L. Oberfield, Jon L. Collins, Christopher P. Holmes, Donna M. Goreham, Joel P. Cooper, Jeffery E. Cobb, James M. Lenhard, Emily A. Hull-Ryde, Christopher P. Mohr, Steven G. Blanchard, Derek J. Parks, Linda B. Moore, Jurgen M. Lehmann, Kelli Plunket, Ann B. Miller, Michael V. Milburn, Steven A. Kliewer, Timothy M. Willson. A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation. Proc. Natl. Acad. Sci. 96, May, pp. 6102-6106 (1999). 17-ID 17-BM
H. Eric Xu, Millard H. Lambert, Valerie G. Montana, Derek J. Parks, Steven G. Blanchard, Peter J. Brown, Daniel D. Sternbach, Jurgen M. Lehmann, G. Bruce Wisely, Timothy M. Willson, Steven A. Kliewer, Michael V. Milburn. Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Molecular Cell 3, 3, March, pp. 397-403 (1999). 17-ID
1gwx 2gwx 3gwx
1998
Johnson & Johnson (current IMCA member, since 2004; formerly 3-Dimensional Pharmaceuticals)
number of publications: 1
PDB Structures
2007 Carsten Schubert, Celine Schalk-Hihi, Geoffrey T. Struble, Hong-Chang Ma, Ioanna P. Petrounia, Benjamin Brandt, Ingrid C. Deckman, Raymond J. Patch, Mark R. Player, John C. Spurlino, Barry A. Springer. Crystal Structure of the Tyrosine Kinase Domain of Colony-stimulating Factor-1 Receptor (cFMS) in Complex with Two Inhibitors. J. Biol. Chem. 282 (6), February, 4094-4101 (2007).
DOI: 10.1074/jbc.M608183200
2006
2005
2004
Merck (current IMCA member, since 1990)
number of publications: 38
PDB Structures
2007 Kevin D. Dykstra, Liangqin Guo, Elizabeth T. Birzin, Wanda Chan, Yi Tien Yang, Edward C. Hayes, Carolyn A. DaSilva, Lee-Yuh Pai, Ralph T. Mosley, Bryan Kraker, Paula M.D. Fitzgerald, Frank DiNinno, Susan P. Rohrer, James M. Schaeffer, Milton L. Hammonda. Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ER[alpha]. Bioorg. Med. Chem. Lett. 17 (8), April, 2322-2328 (2007).
DOI: 10.1016/j.bmcl.2007.01.054		 17-ID
2006 Ernest Asante-Appiah, Sangita Patel, Caroline Desponts, Jillian M. Taylor, Cheuk Lau, Claude Dufresne, Michel Therien, Rick Friesen, Joseph W. Becker, Yves Leblanc, Brian P. Kennedy, Giovanna Scapin. Conformation-assisted Inhibition of Protein-tyrosine Phosphatase-1B Elicits Inhibitor Selectivity over T-cell Protein-tyrosine Phosphatase. J. Biol. Chem. 281 (12), March, 8010-8015 (2006).
DOI: 10.1074/jbc.M511827200		 17-ID
2fjm 2fjn
Edmondson, S.D.,  Mastracchio, A.,  Mathvink, R.J.,  He, J.,  Harper, B.,  Park, Y.J.,  Beconi, M.,  Di Salvo, J.,  Eiermann, G.J.,  He, H.,  Leiting, B.,  Leone, J.F.,  Levorse, D.A.,  Lyons, K.,  Patel, R.A.,  Patel, S.B.,  Petrov, A.,  Scapin, G.,  Shang, J.,  Roy, R.S.,  Smith, A.,  Wu, J.K.,  Xu, S.,  Zhu, B.,  Thornberry, N.A.,  Weber, A.E. (2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. J. Med. Chem. v49 pp.3614-3627 (2006).
DOI: 10.1021/jm060015t		 17-BM
2fjp
Mark E. Fraley, Robert M. Garbaccio, Kenneth L. Arrington, William F. Hoffman, Edward S. Tasber, Paul J. Coleman, Carolyn A. Buser, Eileen S. Walsh, Kelly Hamilton, Christine Fernandes, Michael D. Schaber, Robert B. Lobell, Weikang Tao, Victoria J. South, Youwei Yan, Lawrence C. Kuo, Thomayant Prueksaritanont, Cathy Shu, Maricel Torrent, David C. Heimbrook, Nancy E. Kohl, Hans E. Huber, George D. Hartman. Kinesin spindle protein (KSP) inhibitors. Part 2: The design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP. Bioorg. Med. Chem. Lett. 16 (7), April, 1775-1779 (2006).
DOI: 10.1016/j.bmcl.2006.01.030		 17-ID
Jacqueline Montalibet, Kathryn Skorey, Dan McKay, Giovanna Scapin, Ernest Asante-Appiah, Brian P. Kennedy. Residues Distant from the Active Site Influence Protein-tyrosine Phosphatase 1B Inhibitor Binding. J. Biol. Chem. 281 (8), February, 5258-5266 (2006).
DOI: 10.1074/jbc.M511546200		 17-ID
2f6f
Amos B. Smith III, Adam K. Charnley, Hironori Harada, Jason J. Beiger, Louis-David Cantin, Craig S. Kenesky, Ralph Hirschmann, Sanjeev Munshi, David B. Olsen, Mark W. Stahlhut, William A. Schleif, Lawrence C. Kuo. Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains. Bioorg. Med. Chem. Lett. 16 (4), February, 859-863 (2006).
DOI: 10.1016/j.bmcl.2005.11.011		 17-ID
J. Wang, S. Soisson, K. Young, W. Shoop, S. Kodali, A. Galgoci, R. Painter, G. Parthasarathy, Y. Tang, R. Cummings, S. Ha, K. Dorso, M. Motyl, H. Jayasuriya, J. Ondeyka, K. Herath, C. Zhang, L. Hernandez, J. Allocco, A. Basilio, J. Tormo, O. Genilloud, F. Vicente, F. Pelaez, L. Colwell, S. Lee, B. Michael, T. Felcetto, C. Gill, L. Silver, J. Hermes, K. Bartizal, J. Barrett, D. Schmatz, J. Becker, D. Cully, S. Singh. Platensimycin is a selective FabF inhibitor with potent antibiotic properties. Nature 441, May, 358-361 (2006).
DOI: 10.1038/nature04784		 17-ID 17-BM
R.R. Wilkening, R.W. Ratcliffe, E.C. Tynebor, K.J. Wildonger, A.K. Fried, M.L. Hammond, R.T. Mosley, P.M.D. Fitzgerald, N. Sharma, B.M. McKeever, S. Nilsson, M. Carlquist, A. Thorsell, L. Locco, R. Katz, K. Frisch, E.T. Birzin, H.A. Wilkinson, S. Mitra, S. Cai, E.C. Hayes, J.M. Schaeffer, S.P. Rohrer. The discovery of tetrahydrofluorenones as a new class of estrogen receptor [beta]-subtype selective ligands. Bioorgan. Med. Chem. 16 (13), July, 3489-3494 (2006).
DOI: 10.1016/j.bmcl.2006.03.098		 17-ID
2giu
2005 T.A. Blizzard, F. DiNinno, J.D. Morgan II, H.Y. Chen, J.Y. Wu, S. Kim, W. Chan, E.T. Birzin, Y.T. Yang, L.-Y. Pai, P.M.D. Fitzgerald, N. Sharma, Y. Li, Z. Zhang, E.C. Hayes, C.A. DaSilva, W. Tang, S.P. Rohrer, J.M. Schaeffer, M.L. Hammond. Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg. Med. Chem. Lett. 15, 107-113 (2005).
DOI: 10.1016/j.bmcl.2004.10.036		 17-ID
Christopher D. Cox, Michael J. Breslina, Brenda J. Mariano, Paul J. Coleman, Carolyn A. Buser, Eilee S. Walsh, Kelly Hamilton, Hans E. Huber, Nanc E. Kohl, Maricel Torrent, Youwei Yan, Laurence C. Kuo, George D. Hartman. Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP . Bioorg. Med. Chem. Lett. 15 (8), April, 2041-2045 (2005). 17-ID
N. Sharma, J.H. Toney, P.M.D. Fitzgerald. Expression, purification, crystallization and preliminary X-ray analysis of Aeromonas hydrophilia metallo-[beta]-lactamase. Acta Crystallogr. F F61, 180-182 (2005). 17-ID
W.L. Shoop, Y. Xiong, J. Wiltsie, A. Woods, J. Guo, J.V. Pivnichny, T. Felcetto, B.F. Michael, A. Bansal, R.T. Cummings, B.R. Cunningham, A.M. Friedlander, C.M. Douglas, S.B. Patel, D. Wisniewski, G. Scapin, S.P. Salowe, D.M. Zaller, K.T. Chapman, E.M. Scolnick, D.M. Schmatz, K. Bartizal, M. MacCoss, D. Hermes. Anthrax lethal factor inhibition. Proc. Natl. Acad. Sci. USA 102 (22), April, 7958-7963 (2005). 17-ID
Qiang Tan, Timothy A. Blizzard, Jerry D. Morgan II, Elizabeth T. Birzin, Wanda Chan, Yi Tien Yang, Lee-Yuh Pai, Edward C. Hayes, Carolyn A. DaSilva, Sudha Warrier, Joel Yudkovitz, Hilary A. Wilkinson, Nandini Sharma, Paula M.D. Fitzgerald, Susan Lia, Lawrence Colwell, John E. Fisher, Sharon Adamski, Alfred A. Reszka, Donald Kimmel, Frank DiNinno, Susan P. Rohrer, Leonard P. Freedman, James M. Schaeffer, Milton L. Hammond. Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs. Bioorgan. Med. Chem. 15 (6), March, 1675-1681 (2005). 17-ID
2004 Joseph W. Becker, Jennifer Rotonda, Stephen M. Soisson, Renee Aspiotis, Christopher Bayly, Sebastien Francoeur, Michel Gallant, Margarita Garcia-Calvo, Andre Giroux, Erich Grimm, Yongxin Han, Dan McKay, Donald W. Nicholson, Erin Peterson, Johanne Renaud, Sophie Roy, Nancy Thornberry, Robert Zamboni. Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis. J. Med. Chem. 47 (10), April, 2466-2474 (2004). 17-ID
Dooseop Kim, Liping Wang, Maria Beconi, George J. Eiermann, Micheal H. Fisher, Huailbing He, Gerard J. Hickey, Jennifer E. Kowalchick, Barbara Leiting, Kathryn Lyons, Frank Marsilio, Margaret E. McCann, Reshma A. Patel, Aleksandr Petrov, Giovanna Scapin, Sangita B. Patel, Ranabir Sinha Roy, Joseph K. Wu, Matthew J. Wyratt, Bei B. Zhang, Lan Zhu, Nancy A. Thornberry, Ann E. Weber. (2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro{1,2,4}triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes. J. Med. Chem, 48, 141-151, (2004). 17-ID
Seongkon Kim, Jane Y. Wu, Elizabeth T. Birzin, Katalin Frisch, Wanda chen, Lee-Yuh Pai, Yi Tien Yang, Ralph T. Mosley, Paula M. d. Fitzgerald, Nandini sharma, Johanna Dahllund, Anne-Gerd Thorsell, Frank DiNinno, Susan P. rohrer, James M. Schaeffer, Milton L. Hammond. Estrogen Receptor Ligands.II. J. Medicinal Chemistry 47, (9), 2171-2175 (2004). 17-ID
1sj0
Cheuk K. Lau, Christopher I. Bayly, Jacques Yves Gautheir, Chun Sing Li, Michel therien, Ernest Asante-Appiah, Wanda Cromlish, Yves Boie, Farnaz Forghani, Sylvie Desmarais, Qingping Wang, Kathryn Skorey, Deena Waddleton, Paul Payette, Chidambaram Ramachandran, Brian P. Kennedy, Giovanna Scapin. Structure based design of a series of potent and selective non peptidic PTP-1B inhibitors. Bioorg. Med. Chem. Lett. 14, (4), 1043-1048 (2004).
Asim K. Mandal, Jesse Skoch, Brian J. Bacskai, BradleyT. Hyman, Peter Christmas, Douglas Miller, Ting-ting D. Yamin, Shihua Xu, Douglas Wisniewski, Jilly F. Evans, Roy J. Soberman. The membrane organization of leukotriene synthesis. Proc. Natl. Acad. Sci. USA 101 (17), April, 6587-6592 (2004). 17-ID
Sangita B. Patel, Patricia M. Cameron, Betsy Frantz-Wattley, Edward O'Neill, Joseph W. Becker, Giovanna Scapin. Lattice stablization and enhanced diffraction in human p38~ crystals by protein engineering. Biochimica et Biophysica Acta, pp.67-73 (2004). 17-ID
1r39 1r3c
Sangita B. Patel, Jeffrey P. Vanerin, Michael R. Tota, Scott D. Edmondson, Emma R. Parmee, Joseph W. Becker, Giovanna Scapin. Crystal and preliminary x-ray diffraction analysis of the catalytic domain of recombiant human phospodiesterase 3B. Biological Crystallography, Acta Crystal. Sect. D, pp.169-171, (2004). 17-BM
Giovanna Scapin, Sangita B. Patel, Patricia M. Cameron, Betsy Frantz-Wattley, Edward O'Neill, Joseph W. Becker. Lattice stabilization and enhanced diffraction in human p38~ crystals by protein engineering. Biochim. Biophys. Acta 1696, January, 67-73 (2004). 17-ID
Giovannna Scapin, Sangita B. Patel, Christine Chung, Jeffrey P. Varnerin, Scott D. Edmondson, Anthony Mastracchio, Emma R. Parmee, Suresh B. Singh, Joseph W. Becker, Lex H. T. Van der Ploeg, Michael R. Tota. Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity. Biochemistry 43, pp. 6091-6100 (2004). 17-ID 17-BM
Youwei Yan, Vinod Sardana, Bei Xu, Carl Homnick, Wasyl Halczenko, Carolyn A. Buser, Michael Schaber, George D. Hartman, Hans E. Huber, Lawrence C. Ku. Inhibition of a Mitotic Motor Protein: Where, How, and Conformational Consequences. J. Mol. Biol. 335 (2), January, 547-554 (2004). 17-ID
2003 Stephen J. Colletti, Jessica L. Frie, Elizabeth C. Dixon, Suresh B. Singh, Bernard K. Choi, Giovanna Scapin, Catherine E. Fitzgerald, Sanjeev Kumar, Elizabeth A. Nichols, Stephen J. O'Keefe, Edward A. O'Neill, Gene Porter, Koppara Samuel, Dennis M. Schmatz, Cheryl D. Schwartz, Wesley L. Shoop, Chris M. Thompson, James E. Thompson, Ruixiu Wang, Andrea Woods, Dennis M. Zaller, James B. Doherty. Hybrid-designed inhibitors of p38 MAP kinase utilizing N-arylpyridazinones. J. Med. Chem. 46, pp. 349-352 (2003). 17-ID
Catherine E. Fitzgerald, Sangita B. Patel, Joseph W. Becker, Patricia M. Cameron, Dennis Zaller, Vasilis Bill Pikounis, Stephen J. O'Keefe, Giovanna Scapin. Structural Basis for p38~ MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity. Nature Structl. Biology, 10, pp. 764-769 (2003). 17-ID
1ouk 1ouy 1ove
Zhijian Lu, Joann Bohn, Raynald Bergeron, Qiaolin Deng, Kenneth P. Ellsworth, Wayne M. Geissler, Georgianna Harris, Peggy E. McCann, Brian McKeever, Robert W. Myers, Richard Saperstein, Christopher A. Willoughby, Jun Yao, Kevin Chapman. A new class of glycogen phosphorylase inhibitors. Bioorg. Med. Chem. Lett. 13 (22), November, 4125-4128 (2003). 17-ID
Yolanda Romsicki, Giovanna Scapin, Veronique Beaulieu-Audy, Sangita Patel, Joseph W. Becker, Brian P. Kennedy, Ernest sante-Appiah. Functional Characterization and Crystal Structure of the C215D Mutant of Protein-tyrosine Phosphatase-1B*. J. Biol. Chem. 278, pp. 29009-29015 (2003). 17-ID
1pa1
Giovanna Scapin, Sangita B. Patel, Joseph W. Becker, Qingping Wang, Caroline Desponts, Deena Waddleton, Kathryn Skorey, Wanda Cromlish, Christopher Bayly, Michel Therien, Jacques Yves Gauthier, Chun Sing Li, Cheuk K. Lau, Chidambaram Ramachandran, Brian P. Kennedy, Ernest Asante-Appiah. The Structural Basis for the Selectivity of Benzotriazole Inhibitors of PTP1B. Biochemistry-US 42, pp. 11451-11459 (2003). 17-ID 17-BM
1q6j 1q6m 1q6n
1q6p 1q6s 1q6t
Giovanna Scapin, Sangita B. Patel, JeanMarie Lisnock, Joseph W. Becker, Philip V. LoGrasso. The Structure of JNK3 in Complex with Small Molecule Inhibitors: Structural Basis for Potency and Selectivity. Chemistry & Biology, 10, pp. 705-712 (2003). 17-ID
1pmn 1pmq 1pmu
1pmv
John E. Stelmach, Luping Liu, Sangita B. Patel, James V. Pivnichny, Giovanna Scapin, Suresh Singh, Cornelis E. C. A. Hop, Zhen Wang, John R. Strauss, Patricia M. Cameron, Elizabeth A. Nichols, Stephen J. O'Keefe, Edward A. O'Neill, Dennis M. Schmatz, Cheryl D. Schwartz, Chris M. Thompson, Dennis M. Zaller, James B. Doherty. Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase. Bioorg. Med. Chem. Lett. 13, pp. 277-280 (2003). 17-ID
1m7q
2002 Ernest Asante-Appiah, Sangita Patel, Claude Dufresne, Patrick Roy, Qingping Wang, Vira Patel, Richard W. Friesen, Chidambaram Ramachandran, Joseph W. Becker, Yves Leblanc, Brian P. Kennedy, Giovanna Scapin. The structure of PTP-1B in complex with a peptide inhibitor reveals an alternative binding mode for bisphosphonates. Biochemistry-US 41, pp. 9043-9051 (2002). 17-ID
1lqf
Sanjeev Munshi, Maria Kornienko, Dawn L. Hall, John C. Reid, Lloyd Waxman, Steven M. Stirdivant, Paul L. Darke, Lawrence C. Kuo. Crystal structure of the apo, unactivated insulin-like growth factor-1 receptor kinase. J Biol. Chem. 277, 41, October, pp. 38797-38802 (2002). 17-ID
2001 Jennifer Rotonda, Margarita Garcia-Calvo, Herb G. Bull, Wayne M. Geissler, Brian M. McKeever, Christopher A. Willoughby, Nancy A. Thornberry, Joseph W. Becker. The three-dimensional structure of human granzyme B compared to caspase-3, key mediators of cell death with cleavage specificity for aspartic acid in P1. Chem. Biol. 8, pp. 357-368 (2001). 17-ID
1iau
Giovanna Scapin, Sangita Patel, Vira Patel, Brian Kennedy, Ernest Asante-Appiah. The structure of apo protein-tyrosine phosphatase 1B C215S mutant: more than just an S--->O change. Protein Sci. 10, pp. 1596-1605 (2001). 17-ID
1i57
Jeffrey H. Toney, Gail G. Hammond, Paula M.D. Fitzgerald, Nandini Sharma, James M. Balkovec, Gregory P. Rouen, Steven H. Olson, Milton L. Hammond, Mark L. Greenlee, Ying-Duo Gao. Succinic acids as potent inhibitors of plasmid-borne IMP-1 metallo-B-lactamase. J. Biol. Chem. 276, 34, August, pp. 31913-31918 (2001). 17-ID
1jje 1jjt
2000 Zhongguo Chen, Youwei Yan, Sanjeev Munshi, Ying Li, Joan Zugay-Murphy, Bei Xu, Marc Witmer, Peter Felock, Abigail Wolfe, Vinod Sardana, Emilio A. Emini, Daria Hazuda, Lawrence C. Kuo. X-ray structure of simian immunodeficiency virus integrase containing the core and C-terminal domain (Residues 50-293) - an initial glance of the viral DNA binding platform. J. Mol. Biol. 296, 2, February, pp. 521-533 (2000). 17-ID
1c6v
Youwei Yan, Sanjeev Munshi, Barbara Leiting, Matt S. Anderson, John Chrzas, Zhongguo Chen. Crystal structure of Escherichia coli UDPMurNAc-tripeptide D-alanyl-D-alanine-adding enzyme (MurF) at 2.3 A resolution. J. Mol. Biol. 304, pp. 435-445 (2000). 17-ID
1gg4
1999 Youwei Yan, Sanjeev Munshi, Ying Li, Kelly Ann D. Pryor, Frank Marsilio, Barbara Leiting. Crystallization and preliminary X-ray analysis of the Escherichia coli UDP-MurNAc-tripeptide D-alanyl-D-alanine-adding enzyme (MurF). Acta Crystallogr. D55, 12, December, pp. 2033-2034 (1999). 17-ID
1998
Monsanto/Searle (IMCA member 1990 - 2001 when merged with Pharmacia)
number of publications: 1
PDB Structures
2003 Timothy J. Rydel, Jennifer M. Williams, Elysia Krieger, Farhad Moshiri, William C. Stallings, Sherri M. Brown, Jay C. Pershing, John P. Purcell, Murtaza F. Alibhai. The crystal structure, mutagenesis, and activity studies reveal that patatin is a lipid acyl hydrolase with a Ser-Asp catalytic dyad. Biochemistry–US 42, pp. 6696-6708 (2003).
2002
2001
2000
1999
1998
Novartis (current IMCA member, since 2003)
number of publications: 0
PDB Structures
2006
2005
2004
2003
Parke-Davis (a division of Warner-Lambert) (IMCA member 1993 - 2000 when merged with Pfizer)
number of publications: 13
PDB Structures
2000 Mark Barvian, Diane H. Boschelli, Jennifer Cossrow, Ellen Dobrusin, Ali Fattaey, Alex Fritsch, David Fry, Patricia Harvey, Paul Keller, Michelle Garrett, Frances La, Wilbur Leopold, Dennis McNamara, Maire Quin, Susanne Trumpp-Kallmeyer, Peter Toogood, Zhipei Wu, Erli Zhang. Pyrido[2, 3-d]pyrimidin-7-one inhibitors of cyclin-dependent kinases. J. Med. Chem. 43, pp. 4606-4616 (2000). 17-ID 17-BM
Frederick E. Boyer, J. V. N. Vara Prasad, John M. Domagala, Edmund L. Ellsworth, Christopher Gajda, Susan E. Hagen, Larry J. Markoski, Bradley D. Tait, Elizabeth A. Lunney, Alexander Pavlovsky, Donna Ferguson, Neil Graham, Tod Holler, Donald Hupe, Carolyn Nouhan, Peter J. Tummino, A. Urumov, Eric Zeikus, Greg Zeikus, Stephen J. Gracheck, James M. Sanders, Steven VanderRoest, Joanne Brodfuehrer, Krishna Iyer, Michael Sinz, Sergei V. Gulnik, John W. Erickson. 5, 6-dihydropyran-2-ones possessing various sulfonyl functionalities: potent nonpeptidic inhibitors of HIV protease. J. Med. Chem. 43, pp. 843-858 (2000). 17-ID 17-BM
Wayne L. Cody, Zhiwu Lin, Robert L. Panek, David W. Rose, John R. Rubin. Progress in the development of inhibitors of SH2 domains. Curr. Pharm. Design 6, pp. 59-98 (2000). 17-ID
Lakshmi S. Narasimhan, J. Ronald Rubin, Debra R. Holland, Janet S. Plummer, Stephen T. Rapundalo, Jeremy E. Edmunds, Yves St-Denis, M. Arshad Siddiqui, Christine Humblet. Structural basis of the thrombin selectivity of a ligand that contains the constrained arginine mimic (2S)-2-amino-(3S)-3-(1- carbamimidoyl- piperidin-3-yl)-propanoic acid at P1. J. Med. Chem. 43, 3, pp. 361-368 (2000). 17-ID
Patrick M. O'Brien, Daniel F. Ortwine, Alexander G. Pavlovsky, Joseph A. Picard, Drago R. Sliskovic, Bruce D. Roth, Richard D. Dyer, Linda L. Johnson, Chiu Fai Man, Hussein Hallak. Structure-activity relationships and pharmacokinetic analysis for a series of potent, systemically available biphenylsulfonamide matrix metalloproteinase inhibitors. J. Med. Chem. 43, pp. 156-166 (2000). 17-ID 17-BM
1999 M. H. Chen, O. P. Goel, J.-W. Hyun, J. Magano, J. R. Rubin. An efficient stereoselective synthesis of [3S(1S,9S)]-3-[[[9-(benzoylamino)octahydro-6,10-dioxo-6H-pyridazino-(1,2-a)(1,2)-diazepin-1-yl]-carbonyl]amino]-4-oxobutanoic acid, an interleukin converting enzyme (ICE) inhibitor. Bioorg. Med. Chem. Lett. 9, pp. 1587-1592 (1999). 17-ID 17-BM
Wayne L. Cody, Cuiman Cai, Annette M. Doherty, Jeremy J. Edmunds, John X. He, Lakshmi S. Narasimhan, Janet S. Plummer, Stephen T. Rapundalo, J. Ronald Rubin, Chad A.. Van Huis, Yves St-Denis, Peter D. Winocour, M. Arshad Siddiqui. The design of potent and selective inhibitors of thrombin utilizing a piperazinedione template: part I. Bioorg. Med. Chem. Lett. 9, 17, September, pp. 2497-2502 (1999). 17-ID
Wayne L. Cody, Corinne E. Augelli-Szafran, Kent A. Berryman, Cuiman Cai, Annette M. Doherty, Jeremy J. Edmunds, John X. He, Lakshmi S. Narasimhan, Jan Penvose-Yi, Janet S. Plummer, Stephen T. Rapundalo, J. Ronald Rubin, Chad A. Van Huis, Lorraine Leblond, Peter D. Winocour, M. Arshad Siddiqui. The design of potent and selective inhibitors of thrombin utilizing a piperazinedione template: part II. Bioorg. Med. Chem. Lett. 9, pp. 2503-2508 (1999). 17-ID
Venugopal Dhanaraj, Mark G. Williams, Qi-Zhuang Ye, Franck Molina, Linda L. Johnson, Daniel F. Ortwine, Alexander Pavlovsky, J. Ron Rubin, Richard W. Skeean, Andy D. White, Christine Humblet, Donald J. Hupe, Tom L. Blundell. X-ray structure of Gelatinase A catalytic domain complexed with an hydroxamate inhibitor. Croat. Chem. Acta 72, 3, pp. 575-591 (1999). 17-ID
Richard J. Heath, J. Ronald Rubin, Debra R. Holland, Erli Zhang, Mark E. Snow, Charles O. Rock. Mechanism of triclosan inhibition of bacterial fatty acid synthesis. J. Biol. Chem. 274, 16, April, pp. 11110-11114 (1999). 17-ID
Janet S. Plummer, Kent A. Berryman, Cuiman Cai, Wayne L. Cody, John DiMaio, Annette M. Doherty, Scott Eaton, Jeremy J. Edmunds, Debra R. Holland, D. Lafleur, Sophie Levesque, Lakshmi S. Narasimhan, J. Ronald Rubin, Stephen T. Rapundalo, M. Arshad Siddiqui, A. Susser, Yves St-Denis, Peter Winocour. Potent and selective bicyclic lactam inhibitors of thrombin: part 3: P1' modifications. Bioorg. Med. Chem. Lett. 9, 6, March, pp. 835-840 (1999). 17-ID
J. V. N. Vara Prasad, Frederick E. Boyer, John M. Domagala, Edmund L. Ellsworth, Christopher Gajda, Harriet W. Hamilton, Susan E. Hagen, Larry J. Markoski, Bruce A. Steinbaugh, Bradley D. Tait, Christine Humblet, Elizabeth A. Lunney, Alexander Pavlovsky, John R. Rubin, Donna Ferguson, Neil Graham, Tod Holler, Donald Hupe, Carolyn Nouhan, Peter J. Tummino, A. Urumov, Eric Zeikus, Greg Zeikus, Stephen J. Gracheck, James M. Saunders, Steven VanderRoest, Joanne Brodfuehrer, K. Iyer, M. Sinz, Sergei V. Gulnik, John W. Erickson. Nonpeptidic HIV protease inhibitors possessing excellent antiviral activities and therapeutic indices. PD 178390: a lead HIV protease inhibitor. Bioorgan. Med. Chem. 7, July, pp. 2775-2800 (1999). 17-ID
1998 Janet S. Plummer, Kent A. Berryman, Cuiman Cai, Wayne L. Cody, John DiMaio, Annette M. Doherty, Jeremy J. Edmunds, John X. He, Debra R. Holland, Sophie Levesque, Darin R. Kent, Lakshmi S. Narasimhan, J. Ronald Rubin, Stephen T. Rapundalo, M. Arshad Siddiqui, Alan J. Susser, Yves St-Denis, Peter D. Winocour. Potent and selective bicyclic lactam inhibitors of thrombin: Part 2: P1 modifications. Bioorg. Med. Chem. Lett. 8, 23, December, pp. 3409-3414 (1998). 17-ID
Pfizer (IMCA member 2000 to present; formerly Parke-Davis and Pharmacia)
number of publications: 22 site
PDB Structures
2007 David R. Anderson, Marvin J. Meyers, William F. Vernier, Matthew W. Mahoney, Ravi G. Kurumbail, Nicole Caspers, Gennadiy I. Poda, John F. Schindler, David B. Reitz, Robert J. Mourey. Pyrrolopyridine Inhibitors of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK-2). J. Med. Chem. 50 (11), May, 2647-2654 (2007).
DOI: 10.1021/jm0611004		 MO 17-ID 17-BM
2p3g
John N. Freskos, Yvette M. Fobian, Timothy E. Benson, Michael J. Bienkowski, David L. Brown, Thomas L. Emmons, Robert Heintz, Alice Laborde, Joseph J. McDonald, Brent V. Mischke, John M. Molyneaux, Joseph B. Moon, Patrick B. Mullins, D. Bryan Prince, Donna J. Paddock, Alfredo G. Tomasselli, Gregory Winterrowd. Design of potent inhibitors of human [beta]-secretase. Part 1. Bioorg. Med. Chem. Lett. 17 (1), January, 73-77 (2007).
DOI: 10.1016/j.bmcl.2006.09.092		 MO 17-ID
2hiz
John N. Freskos, Yvette M. Fobian, Timothy E. Benson, Joseph B. Moon, Michael J. Bienkowski, David L. Brown, Thomas L. Emmons, Robert Heintz, Alice Laborde, Joseph J. McDonald, Brent V. Mischke, John M. Molyneaux, Patrick B. Mullins, D. Bryan Prince, Donna J. Paddock, Alfredo G. Tomasselli, Greg Winterrowd. Design of potent inhibitors of human [beta]-secretase. Part 2. Bioorg. Med. Chem. Lett. 17 (1), January, 78-81 (2007).
DOI: 10.1016/j.bmcl.2006.09.091		 MO 17-ID
2hm1
Michael Kothe, Darcy Kohls, Simon Low, Rocco Coli, Alan C. Cheng, Suzanne L. Jacques, Theresa L. Johnson, Cristina Lewis, Christine Loh, Jim Nonomiya, Alissa L. Sheils, Kimberly A. Verdries, Thomas A. Wynn, Cyrille Kuhn, Yuan-Hua Ding. Structure of the Catalytic Domain of Human Polo-like Kinase 1. Biochem. J. 46, 5960-5971 (2007).
DOI: 10.1021/bi602474j		 MA 17-ID 17-BM
2ou7 2owb
Michel C. Maillard, Roy K. Hom, Timothy E. Benson, Joseph B. Moon, Shumeye Mamo, Michael Bienkowski, Alfredo G. Tomasselli, Danielle D. Woods, D. Bryan Prince, Donna J. Paddock, Thomas L. Emmons, John A. Tucker, Michael S. Dappen, Louis Brogley, Eugene D. Thorsett, Nancy Jewett, Sukanto Sinha, Varghese John. Design, Synthesis, and Crystal Structure of Hydroxyethyl Secondary Amine-Based Peptidomimetic Inhibitors of Human [beta]-Secretase. J. Med. Chem. 50 (4), February, 776-781 (2007).
DOI: 10.1021/jm061242y		 MO 17-ID
2iqg
Jeffrey A. Pfefferkorn, Chulho Choi, Yuntao Song, Bharat K. Trivedi, Scott D. Larsen, Valerie Askew, Lisa Dillon, Jeffrey C. Hanselman, Zhiwu Lin, Gina Lu, Andrew Robertson, Catherine Sekerke, Bruce Auerbach, Alexander Pavlovsky, Melissa S. Harris, Graeme Bainbridge, Nicole Caspers. Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors. Bioorg. Med. Chem. Lett. 17 (16), August, 4531-4537 (2007).
DOI: 10.1016/j.bmcl.2007.05.097		 MI 17-ID
2q6c
Jeffrey A. Pfefferkorn, Yuntao Song, Kuai-Lin Sun, Steven R. Miller, Bharat K. Trivedi, Chulho Choi, Roderick J. Sorenson, Larry D. Bratton, Paul C. Unangst, Scott D. Larsen, Toni-Jo Poel, Xue-Min Cheng, Chitase Lee, Noe Erasga, Bruce Auerbach, Valerie Askew, Lisa Dillon, Jeffrey C. Hanselman, Zhiwu Lin, Gina Lu, Andrew Robertson, Karl Olsen, Thomas Mertz, Catherine Sekerke, Alexander Pavlovsky, Melissa S. Harris, Graeme Bainbridge, Nicole Caspers, Huifen Chen, Matthias Eberstadt. Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors. Bioorg. Med. Chem. Lett. 17 (16), August, 4538-4544 (2007).
DOI: 10.1016/j.bmcl.2007.05.096		 MI 17-ID
2q1l
2006 Patrick Bilder, Sandra Lightle, Graeme Bainbridge, Jeffrey Ohren, Barry Finzel, Fang Sun, Susan Holley, Loola Al-Kassim, Cindy Spessard, Michael Melnick, Marcia Newcomer, Grover L. Waldrop. The Structure of the Carboxyltransferase Component of Acetyl-CoA Carboxylase Reveals a Zinc-Binding Motif Unique to the Bacterial Enzyme. Biochemistry-US 45 (6), February, 1712-1722 (2006).
DOI: 10.1021/bi0520479		 MI 17-ID
2f9i 2f9y
Holsworth, D.D.,  Cai, C.,  Cheng, X.M.,  Cody, W.L.,  Downing, D.M.,  Erasga, N.,  Lee, C.,  Powell, N.A.,  Ednunds, J.J.,  Stier, M.,  Jalaie, M.,  Zhang, E.,  McConnell, P.,  Ryan, M.J.,  Bryant, J.,  Li, T.,  Kasani, A.,  Hall, E.,  Subedi, R.,  Rahim, M.,  Maiti, S. Ketopiperazine-based renin inhibitors: Optimization of the 'C' ring. BIOORG. MED. CHEM. LETT. v16 pp.2500-2504 (2006).
DOI: 10.1016/j.bmcl.2006.01.084		 MI 17-ID
2g1n 2g1o 2g1r
2g1s 2g1y 2g20
2g21 2g22 2g24
2g26 2g27
Jeffrey T. Kohrt, Kevin J. Filipski, Wayne L. Cody, Christopher F. Bigge, Frances La, Kathleen Welch, Tawny Dahring, John W. Bryant, Daniele Leonard, Gary Bolton, Lakshmi Narasimhan, Erli Zhang, J. Thomas Peterson, Staci Haarer, Vaishali Sahasrabudhe, Nancy Janiczek, Shrilakshmi Desiraju, Mostofa Hena, Charles Fiakpui, Neerja Saraswat, Raman Sharma, Shaoyi Sun, Samarendra N. Maiti, Robert Leadley, Jeremy J. Edmunds. The discovery of glycine and related amino acid-based factor Xa inhibitors. Bioorgan. Med. Chem. 14, 4379-4392 (2006).
DOI: 10.1016/j.bmc.2006.02.040		 MI 17-ID
2q1j
Jeffrey T. Kohrt, Kevin J. Filipski, Wayne L. Cody, Cuiman Cai, Danette A. Dudley, Chad A. Van Huis, J. Adam Willardsen, Lakshmi S. Narasimhan, Erli Zhang, Stephen T. Rapundalo, Kamlai Saiya-Cork, Robert J. Leadley, Jeremy J. Edmunds. The discovery of fluoropyridine-based inhibitors of the factor VIIa/TF complex—Part 2. Bioorg. Med. Chem. Lett. 16 (4), 1060-1064 (2006). MI 17-ID
2c4f
Noel A. Powell, Emma H. Clay, Daniel D. Holsworth, John W. Bryant, Michael J. Ryan, Mehran Jalaie, Erli Zhang, Jeremy J. Edmunds. Equipotent activity in both enantiomers of a series of ketopiperazine-based renin inhibitors. Bioorg. Med. Chem. Lett. 15 (9), May, 2371-2374 (2006).
DOI: 10.1016/j.bmcl.2005.02.085		 MI 17-ID
2005 Jeffrey T. Kohrt, Kevin J. Filipski, Wayne L. Cody, Cuiman Cai, Danette A. Dudley, Chad A. Van Huis, J. Adam Willardsen, Stephen T. Rapundalo, Kamlai Saiya-Cork, Robert J. Leadley, Lakshmi S. Narasimhan, Erli Zhang, M. Whitlow, M. Adler, K. McLean, Y.L. Chou, C. McKnight, D.O. Arnaiz, K.J. Shaw, D.R. Light, Jeremy J. Edmunds. The discovery of fluoropyridine-based inhibitors of the factor VIIa/TF complex. Bioorg. Med. Chem. Lett. 15 (?), 4752-4756 (2005). MI 17-ID
2aei
Jeffrey A. Pfefferkorn, Meredith L. Greene, Richard A. Nugent, Rebecca J. Gross, Mark A. Mitchell, Barry C. Finzel, Melissa S. Harris, Peter A. Wells, John A. Shelly, Robert A. Anstadt, Robert E. Kilkuskie, Laurice A. Kopta, Francis J. Schwend. Inhibitors of Hcv Ns5B Polymerase: Part 1: Evaluation of the Southern Region of (2Z)-2-(Benzoylamino)-3-(5-Phenyl-2-Furyl)Acrylic Acid. Bioorg. Med. Chem. Lett. 15 (10), May, 2481-2486 (2005). MI 17-ID
1yvf
Jeffrey A. Pfefferkorn, Richard Nugent, Rebecca J. Gross, Meredith Greene, Mark A. Mitchell, Matthew T. Reding, Lee A. Funk, Rebecca Anderson, Peter A. Wells, John A. Shelly, Robert Anstadt, Barry C. Finzel, Melissa S. Harris, Robert E. Kilkuskie, Laurice A. Kopta, Francis J. Schwend. Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid. Bioorg. Med. Chem. Lett. 15 (11), June, 2812-2818 (2005). MI 17-ID
1z4u
Powell, N.A.,  Clay, E.H.,  Holsworth, D.D.,  Bryant, J.W.,  Ryan, J.M.,  Jalaie, M.,  Zhang, E.,  Edmunds, J.J. Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors. Bioorg.Med.Chem.Lett. v15 pp.2371, 2005. MI 17-ID
2bks
Barbara A. Schweitzer, William L. Neumanna, Hayat K. Rahman, Carrie L. Kusturin, Kirby R. Sample, Gennadiy I. Poda, Ravi G. Kurumbail, Anna M. Stevens, Roderick A. Stegeman, William C. Stallings, Michael S. South. Structure-based design and synthesis of pyrazinones containing novel P1 ‘side pocket’ moieties as inhibitors of TF/VIIa. Bioorg. Med. Chem. Lett. 15 (12), June, 3006-3011 (2005).
DOI: 10.1016/j.bmcl.2005.04.037		 MO 17-ID
2004 Robert A. Love, Karen A. Maegley, Xiu Yu, RoseAnn Ferre, Laura K. Lingardo, Wade Diehl, Hans E. Parge, Peter S. Dragovich, Shella A. Fuhrman. The Crystal Structure of the RNA-Dependent RNA Polymerase from Human Rhinovirus A Dual Function Target for Common Cold Antiviral Therapy. Structure 12 (8), August, 1533-1544 (2004). 17-ID
Jeffrey F. Ohren, Huifen Chen, Alexander Pavlovsky, Christopher Whitehead, Erli Zhang, Peter Kuffa, Chunhong Yan, Patrick McConnell, Cindy Spessard, Craig Banotai, W.Thomas Mueller, Amy Delaney, Charles Omer, Judith Sebolt-Leopold, David T. Dudley, Iris K. Leung, Cathlin Flamme, Joseph Warmus, Michael Kaufman, Stephen Barrett, Haile Tecle, Charles A. Hasemann. Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition. Nat. Struct. Mol. Biol. 11, November, 1192-1197 (2004). MI 17-ID
2003
2002
2001 Susan E. Hagen, John Domagala, Christopher Gajda, Michael Lovdahl, Bradley D. Tait, Eric Wise, Tod Holler, Donald Hupe, Carolyn Nouhan, Andrej Urumov, Greg Zeikus, Eric Zeikus, Elizabeth A. Lunney, Alexander Pavlovsky, Stephen J. Gracheck, James Saunders, Steve VanderRoest, Joanne Brodfuehrer. 4-hydroxy-5, 6-dihydropyrones as inhibitors of HIV protease: the effect of heterocyclic substituents at C-6 on antiviral potency and pharmacokinetic parameters. J. Med. Chem. 44, pp. 2319-2332 (2001). MI 17-ID 17-BM
Sophie Levesque, Yves St-Denis, Benoit Bachand, Patrice Preville, Lorraine Leblond, Peter D. Winocour, Jeremy J. Edmunds, J. R. Rubin, M. Arshad Siddiqui. Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization thorugh P1 residues. Bioorg. Med. Chem. Lett. 11, pp. 3161-3164 (2001). MI 17-ID 17-BM
Aurash B. Shahripour, Mark S. Plummer, Elizabeth A. Lunney, Tomi K. Sawyer, Charles J. Stankovic, Michael K. Connolly, John R. Rubin, Nigel P.C. Walker, Kenneth D. Brady, Hamish J. Allen, Robert V. Talanian, Winnie W. Wong, Christine Humblet. Structure-based design of caspase-1 inhibitor containing a diphenyl ether sulfonamide. Bioorg. Med. Chem. Lett. 11, pp. 2779-2782 (2001).  MI 17-ID 17-BM
2000
Pharmacia (IMCA member 2000 - 2001 when merged with Pfizer; formerly Pharmacia & Upjohn and Monsanto/Searle)
number of publications: 10 site
PDB Structures
2003 E. Ann Hallinan, Steven W. Kramer, Stephen C. Houdek, William M. Moore, Gina M. Jerome, Dale P. Spangler, Anna M. Stevens, Huey S. Shieh, Pamela T. Manning, Barnett S. Pitzele. 4-Fluorinated L-lysine analogs as selective i-NOS inhibitors: methodology for introducing fluorine into the lysine side chain. Org. Biomol. Chem. 1 (2), January, 3527-3534 (2003). MO 17-ID
Scott W. Rowlinson, James R. Kiefer, Jeffery J. Prusakiewicz, Jennifer L. Pawlitz, Kevin R. Kozak, Amit S. Kalgutkar, William C. Stallings, Ravi G. Kurumbail, Lawrence J. Marnett. A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385. J. Biol. Chem. 278 (46), November, 45763-45769 (2003). MO 17-ID
1pxx
2002 Eric T. Baldwin, Melissa S. Harris, Anthony W. Yem, Cindy L. Wolfe, Anne F. Vosters, Kimberly A. Curry, Robert W. Murray, Jeffrey H. Bock, Vincent P. Marshall, Joyce I. Cialdella, Mahesh H. Merchant, Gil Choi, Martin R. Deibel. Crystal structure of type II peptide deformylase from Staphylococcus aureus. J. Biol. Chem. 277, 34, August 23, pp. 31163-31171 (2002). MI 17-ID
Timothy E. Benson, D. Bryan Prince, Veronica T. Mutchler, Kimberly A. Curry, Andrea M. Ho, Ronald W. Sarver, Jeanne C. Hagadorn, Gil H. Choi, Robert L. Garlick. X-ray crystal structure of Staphylococcus aureus FemA. Structure 10, August, pp. 1107-1115 (2002). MI 17-ID
1lrz
Melissa S. Harris, Jeffrey H. Bock, Gil Choi, Joyce S. Cialdella, Kimberly A. Curry, Martin R. Deibel Jr., E. Jon Jacobsen, Vincent P. Marshall, Robert W. Murray Jr., Anne F. Vosters, Cindy L. Wolfe, Anthony W. Yem, Eric T. Baldwin . Co-crystallization of Staphylococcus aureus peptide deformylase (PDF) with potent inhibitors . Acta Crystallogr. D58, pp. 2153-2156 (2002). MI 17-ID
Ronald W. Sarver, Joseph M. Rogers, Brian J. Stockman, Dennis E. Epps, Jack DeZwann, Melissa S. Harris, Eric T. Baldwin. Physical methods to determine the binding mode of putative ligands for hepatitis C virus NS3 helicase. Anal. Biochem. 309, pp. 186-195 (2002). MI 17-ID
2001 Timothy E. Benson, Melissa S. Harris, Gil H. Choi, Joyce I. Cialdella, John T. Herberg, Joseph P. Martin, Eric T. Baldwin. A structural variation for MurB: x-ray crystal structure of Staphylococcus aureus UDP-N-acetylenolpyruvylglucosamine reductase (MurB). Biochemistry-US 40, 8, February, pp. 2340-2350 (2001). MI 17-ID
1hsk
Bleasdale, J.E.,  Ogg, D.,  Palazuk, B.J.,  Jacob, C.S.,  Swanson, M.L.,  Wang, X.Y.,  Thompson, D.P.,  Conradi, R.A.,  Mathews, W.R.,  Laborde, A.L.,  Stuchly, C.W.,  Heijbel, A.,  Bergdahl, K.,  Bannow, C.A.,  Smith, C.W.,  Svensson, C.,  Liljebris, C.,  Schostarez, H.J.,  May, P.D.,  Stevens, F.C.,  Larsen, S.D. Small molecule peptidomimetics containing a novel phosphotyrosine bioisostere inhibit protein tyrosine phosphatase 1B and augment insulin action. Biochemistry v40 pp.5642-5654 (2001). MI 17-ID
1g7f
Melissa S. Harris, John T. Herberg, Joyce I. Cialdella, Joseph P. Martin, Timothy E. Benson, Gil H. Choi, Eric T. Baldwin. Crystallization and preliminary X-ray analysis of UDP-N-acetylenolpyruvylglucosamine reductase (MurB) from Staphylococcus aureus. Acta Crystallogr. D57, pp. 1032-1035 (2001). MI 17-ID
Ravi G. Kurumbail, James R. Kiefer, Lawrence J. Marnett. Cyclooxygenase enzymes: catalysis and inhibition. Curr. Opin. Struct. Biol. 11, pp. 752-760 (2001). MO 17-ID
2000
Pharmacia & Upjohn (IMCA member 1996 - 2000 when merged with Monsanto to form Pharmacia; joined in 1990 as Upjohn)
number of publications: 3
PDB Structures
2000
1999 William Watt, Kenneth A. Koeplinger, Ana M. Mildner, Robert L. Heinrikson, Alfredo G. Tomasselli, Keith D. Watenpaugh. The atomic-resolution structure of human caspase-8, a key activator of apoptosis. Structure 7, September, pp. 1135-1143 (1999). 17-ID
1qtn
1998 B. C. Finzel, E. T. Baldwin, G. L. Bryant Jr., G. F. Hess, J. W. Wilks, C. M. Trepod, J. E. Mott, V. P. Marshall, G. L. Petzold, R. A. Poorman, T. J. O'Sullivan, H. J. Schostarez, M. A. Mitchell. Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity. Protein Sci. 7, pp. 2118-2126 (1998). 17-ID
Alfredo G. Tomasselli, Donna J. Paddock, Kimberly A. Curry, Robert L. Garlick, Joseph W. Leone, June M. Lull, Veronica T. Mutchler, Carol A. Baker, Gregory S. Cavey, W. Rodney Mathews, John A. Shelly, Barry C. Finzel, Eric T. Baldwin, Peter A. Wells, Che-Shen C. Tomich. Recombinant human cytomegalovirus protease with a C-terminal (his)6 extension: purification, autocatalytic release of the mature enzyme, and biochemical characterization. Protein Expres. Purif. 14, pp. 343-352 (1998). 17-ID
Procter & Gamble (former member of IMCA, 1990 - 2003)
number of publications: 11
PDB Structures
2007 Artem G. Evdokimov, Matthew Pokross, Richard L. Walter, Marlene Mekel, Bobby L. Barnett, Jack Amburgey, William L. Seibel, Shari J. Soper, Jane F. Djung, Neil Fairweather, Conrad Diven, Vinit Rastogi, Leo Grinius, Charles Klanke, Richard Siehnel, Tracy Twinem, Ryan Andrews, Alan Curnow. Serendipitous Discovery of Novel Bacterial Methionine Aminopeptidase Inhibitors. Proteins 66 (3), February, 538-546 (2007).
DOI: 10.1002/prot.21207		 17-ID 17-BM
2006 Artem G. Evdokimov, Matthew Pokross, Richard Walter, Marlene Mekel, Brooke Cox, Chuiying Li, Randy Bechard, Frank Genbauffe, Ryan Andrews, Conrad Diven, Brian Howard, Vinit Rastogi, Jeffrey Gray, Matthew Maier, Kevin G. Peters. Engineering the catalytic domain of human protein tyrosine phosphatase [beta] for structure-based drug discovery. Acta Crystallogr. D 62, December, 1435-1445 (2006).
DOI: 10.1107/S0907444906037784		 17-ID 17-BM
Sean R. Klopfenstein, Artem G. Evdokimov, Anny-Odile Colson, Neil T. Fairweather, Jeffrey J. Neuman, Matthew B. Maier, Jeffrey L. Gray, Gina S. Gerwe, George E. Stake, Brian W. Howard, Julie A. Farmer, Matthew E. Pokross, Thomas R. Downs, Bhavani Kasibhatla, Kevin G. Peters. 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors. Bioorg. Med. Chem. Lett. 16 (6), March, 1574-1578 (2006).
DOI: 10.1016/j.bmcl.2005.12.051		 17-ID
Mark Sabat, John C. VanRens, Michael P. Clark, Todd A. Brugel, Jennifer Maier, Roger G. Bookland, Matthew J. Laufersweiler, Steven K. Laughlin, Adam Golebiowski, Biswanath De, Lily C. Hsieh, Richard L. Walter, Marlene J. Mekel, Michael J. Janusz. The Development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-[alpha] production. Bioorg. Med. Chem. Lett. 16 (16), August, 4360-4365 (2006).
DOI: 10.1016/j.bmcl.2006.05.050		 17-BM
2004 Michael P. Clark, Steven K. Laughlin, Matthew J. Laufersweiler, Roger G. Bookland, Todd A. Brugel, Adam Golebiowski, Mark P. Sabat, Jennifer A. Townes, John C. VanRens, Jane F. Djung, Michael G. Natchus, Biswanath De, Lily C. Hsieh, Susan C. Xu, Rick L. Walter, Marlene J. Mekel, Sandra A. Heitmeyer, Kimberly K. Brown, Karen Juergens, Yetunde O. Taiwo, Micheal Janusz. Development of Orally Bioavailable Bicyclic Pyrazolones as Inhibitors of Tumor Necrosis Factor-α Production. J. Med. Chem. 47, pp. 2724-2727 (2004). 17-BM
Matthew J. Laufersweiler, Todd A. Brugel, Micheal P. Clark, Adam Golebiowski, Roger G. Bookland, Steven K. Laughlin, Mark P. Sabat, Jennifer A. Townes, John C. VanRens, Biswanath De, Lily C. Hsieh, Sandra A. Heitmeyer, Karen Juergens, Kimberly K. Brown, Marlene J. Mekel, Richard l. Walter, Micheal J. Janusz. The development of novel inhibitors of tumor necrosis factor-a production based on substituted [5,5]-bicyclic pyrazolones. Bioorg. Med. Chem. Lett. 14, pp. 4267-4272 (2004). 17-BM
Jennifer A. Townes, Adam Golebiowski, Micheal P. Clark, Matthew J. Laufersweiler, Todd A. Brugel, Mark Sabat, Roger G. Bookland, Steve K. Laughlin, John C. VanRens, Biswanath De, Lily C. Hsieh, Susan C. Xu, Michael J. Janusz, Richard L. Walter. The development of new bicyclic pyrazole-based cytokine synthesis inhibitors. Bioorg. Med. Chem. Lett. 14, pp. 4945-4948 (2004). 17-BM
2003
2002
2001 Michael G. Natchus, Roger G. Bookland, Matthew J. Laufersweiler, Staszek Pikul, Neil G. Almstead, Biswanath De, Michael J. Janusz, Lily C. Hsieh, Fei Gu, Matthew E. Pokross, Vikram S. Patel, Susan M. Garver, Sean X. Peng, Todd M. Branch, Timothy R. Baker, David J. Foltz, Glen E. Mieling. The development of new carboxylic acid based MMP inhibitors derived from functionalized propargyl glycines. J. Med. Chem. 44, 7, March, pp. 1060-1071 (2001). 17-ID
2000 Menyan Cheng, Biswanath De, Stanislaw Pikul, Neil G. Almstead, Michael G. Natchus, Melanie V. Anastasio, Sarah J. McPhail, Catherine E. Snider, Yetunde O. Taiwo, Longyin Chen, C. Michelle Dunaway, Fei Gu, Martin E. Dowty, Glen E. Mieling, Michael J. Janusz, Sherry Wang-Weigand. Design and synthesis of piperazine-based matrix metalloproteinase inhibitors. J. Med. Chem. 43, pp. 369-380 (2000). 17-ID
Michael G. Natchus, Roger G. Bookland, Biswanath De, Neil G. Almstead, Stanislaw Pikul, Michael J. Janusz, Sandra A. Heitmeyer, Erin B. Hookfin, Lily C. Hsieh, Martin E. Dowty, Charles R. Dietsch, Vikram S. Patel, Susan M. Garver, Fei Gu, Matthew E. Pokross, Glen E. Meiling, Timothy R. Baker, David J. Foltz, Sean X. Peng, David M. Bornes, Michael J. Strojnowski, Yetunde O. Taiwo. Development of new hydroxamate matrix metalloproteinase inhibitors derived from functionalized 4-aminoprolines. J. Med. Chem. 43, pp. 4948-4963 (2000). 17-ID
1g49
1999 Menyan Cheng, Biswanath De, Neil G. Almstead, Stanislaw Pikul, Martin E. Dowty, Charles R. Dietsch, C. Michelle Dunaway, Fei Gu, Lily C. Hsieh, Michael J. Janusz, Yetunde O. Taiwo, Michael G. Natchus. Design, synthesis and biological evaluation of matrix metalloproteinase inhibitors derived from a modified proline scaffold. J. Med. Chem. 42, pp. 5426-5436 (1999). 17-ID
1d7x
1998
Schering-Plough (current IMCA member, since 1996)
number of publications: 10
PDB Structures
2007 Andrew J. Prongay, Zhuyan Guo, Nanhua Yao, John Pichardo, Thierry Fischmann, Corey Strickland, Joseph Myers, Jr., Patricia C. Weber, Brian M. Beyer, Richard Ingram, Zhi Hong, Winifred W. Prosise, Lata Ramanathan, S. Shane Taremi, Taisa Yarosh-Tomaine, Rumin Zhang, Mary Senior, Rong-Sheng Yang, Bruce Malcolm, Ashok Arasappan, Frank Bennett, Stephane L. Bogen, Kevin Chen, Edwin Jao, Yi-Tsung Liu, Raymond G. Lovey, Anil K. Saksena, Srikanth Venkatraman, Viyyoor Girijavallabhan, F. George Njoroge, Vincent Madison. Discovery of the HCV NS3/4A Protease Inhibitor (1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key Steps in Structure-Based Optimization. J. Med. Chem. 50 (10), May, 2310-3218 (2007).
DOI: 10.1021/jm060173k		 17-ID 17-BM
2obo 2obq 2oc0
2oc7 2oc8
2006
2005
2004 Dayna L. Daubaras, Eileen M. Wilson, Todd Black, Corey Strickland, Brian M. Beyera, Peter Orth. Crystallization and preliminary X-ray analysis of the acyl carrier protein synthase (AcpS) from Staphylococcus aureus. Biological Crystallography 60 (4), April, 773-774 (2004). 17-BM
Peter Orth, Paul Reichert, Wenyan Wang, Winifred W. Prosise, Taisa Yarosh-Tomaine, Gerald Hammond, Richard N. Ingram, Li Xiao, Uroo A. Mirza, Jun Zou, Corey Strickland, S.Shane Taremi, Hung V. Le, Vincent Madison. Crystal Structure of the Catalytic Domain of Human ADAM33. J. Mol. Biol. 335 (1), January, 129-137 (2004). 17-BM
2003 Tammy C. Turek-Etienne, Corey L. Strickland, Mark D. Distefano. Biochemical and structural studies with prenyl diphosphate analogues provide insights into isoprenoid recognition by protein farnesyl transferase. Biochemistry-US 42, pp. 3716-3724 (2003). 17-ID
1o1r
2002 V. Madison, J. Duca, F. Bennett, S. Bohanon, A. Cooper, M. Chu, J. Desai, V. Girijavallabhan, R. Hare, A. Hruza, S. Hendrata, Y. Huang, C. Kravec, B. Malcolm, J. McCormick, L. Miesel, L. Ramanathan, P. Reichert, A. Saksena, J. Wang, P. C. Weber, H. Zhu, T. Fischmann. Binding affinities and geometries of various metal ligands in peptide deformylase inhibitors. Biophys. Chem. 101-102, pp. 239-247 (2002). 17-ID 17-BM
2001 Min Chu, Ronald Mierzwa, Ling He, Ling Xu, Frank Gentile, Joseph Terracciano, Mahesh Patel, Lynn Miesel, Samantha Bohanon, Cynthia Kravec, Christina Cramer, Thierry O. Fischmann, Alan Hruza, Lata Ramanathan, Petia Shipkova, Tze-Ming Chan. Isolation and structure elucidation of two novel deformylase inhibitors produced by Streptomyces sp. Tetrahedron Lett. 42, pp. 3549-3551 (2001). 17-ID 17-BM
2000
1999 Thierry O. Fischmann, Alan Hruza, Xiao Da Niu, James D. Fossetta, Charles A. Lunn, Edward Dolphin, Andrew J. Prongay, Paul Richert, Daniel J. Lundell, Satwant K. Narula, Patricia C. Weber. Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation. Nature Struct. Biol. 6, 3, March, pp. 233-242 (1999). 17-ID
4nos
Charles A. Lesburg, Michael B. Cable, Eric Ferrari, Zhi Hong, Anthony F. Mannarino, Patricia C. Weber. Crystal structure of the RNA-dependent RNA polymerase from hepatitis C virus reveals a fully encircled active site. Nature Struct. Biol. 6, 10, October, pp. 937-943 (1999). 17-ID
Corey L. Strickland, Patricia C. Weber, William T. Windsor, Zhen Wu, Hung V. Le, Margaret M. Albanese, Carmen S. Alvarez, David Cesarz, Joycelyn del Rosario, Jeffrey Deskus, Alan K. Mallams, F. George Njoroge, John J. Piwinski, Stacy Remiszewski, Randall R. Rossman, Arthur G. Taveras, Bancha Vibulbhan, Ronald J. Doll, Viyyoor M. Girijavallabhan, Ashit K. Ganguly. Tricyclic farnesyl protein transferase inhibitors: crystallographic and calorimetric studies of structure-activity relationships. J. Med. Chem. 42, 12, June, pp. 2125 2135 (1999). 17-BM
Nanhua Yao, Paul Reichert, S. Shane Taremi, Winifred W. Prosise, Patricia C. Weber. Molecular views of viral polyprotein processing revealed by the crystal structure of the hepatitis C virus bifunctional protease-helicase. Struct. Fold. Des. 7, 11, November, pp. 1353-1363 (1999). 17-ID
1998
SmithKline Beecham (IMCA member 1991 - 2001 when merged with GlaxoWellcome to form GlaxoSmithKline)
number of publications: 6
PDB Structures
2001 Xiayang Qiu, Cheryl A. Janson, Ward W. Smith, Martha Head, John Lonsdale, Alex Konstantinidis. Refined structures of beta-ketoacyl-acyl carrier protein synthase III. J. Mol. Biol. 307, pp. 341-356 (2001). 17-ID
1hnd 1hnj 1hnk
2000 Cheryl A. Janson, Alex K. Konstantinidis, John T. Lonsdale, Xiayang Qiu. Crystallization of Escherichia coli B-ketoacyl-ACP synthase III and the use of a dry flash-cooling technique for data collection. Acta Crystallogr. D56, pp. 747-748 (2000). 17-ID
Dennis S. Yamashita, Robert A. Dodds. Cathepsin K and the design of inhibitors of cathepsin K. Curr. Pharm. Design 6, 1, pp. 1-24 (2000). 17-ID
1999 Xiayang Qiu, Cheryl A. Janson, Michael N. Blackburn, Inderjit K. Chhohan, Martin Hibbs, Sherin S. Abdel-Meguid. Cooperative structural dynamics and a novel fidelity mechanism in histidyl-tRNA synthetases. Biochemistry-US 38, pp. 12296-12304 (1999). 17-ID
1qe0
Xiayang Qiu, Cheryl A. Janson, Robert I. Court, Martin G. Smyth, David J. Payne, Sherin S. Abdel-Meguid. Molecular basis for triclosan activity involves a flipping loop in the active site. Protein Science 8, pp. 2529-2532 (1999). 17-ID
Xiayang Qiu, Cheryl A. Janson, Alex K. Konstantinidis, Silas Nwagwu, Carol Silverman, Ward Smith, Sanjay Khandekar, John Lonsdale, Sherin S. Abdel-Meguid. Crystal structure of beta-Ketoacyl-acyl carrier protein synthase III. J. Biol. Chem. 274, 51, December, pp. 36465-36471 (1999). 17-ID
1hn9
1998
3-Dimensional Pharmaceuticals (IMCA member 2000 - 2004 when merged with Johnson & Johnson)
number of publications: 0
PDB Structures
2004
2003
2002
2001
2000
IMCA-CAT Staff
number of publications: 49
PDB Structures
2007 H. Wu, J.R. Horton, K. Battaile, A. Allali-Hassani, F. Martin, H. Zeng, P. Loppnau, M. Vedadi, A. Bochkarev, A. Plotnikov, X. Cheng. Structural Basis of Allele Variation of Human Thiopurine-S-Methyltransferase. Proteins 67 (1), April, 198-208 (2007).
DOI: 10.1002/prot.21272		 17-ID
2006 Celia C. H. Chen, Ying Han, Weiling Niu, Anna N. Kulakova, Andrew Howard, John P. Quinn, Debra Dunaway-Mariano, Osnat Herzberg. Structure and Kinetics of Phosphonopyruvate Hydrolase from Voriovorax sp. Pal2: New Insight into the Divergence of Catalysis within the PEP Mutase/Isocitrate Lyase Superfamily. Biochemistry-US 45 (38), September, 11491-11504 (2006).
DOI: 10.1021/bi061208l		 17-ID
Gayathri Gopalan, Zengyoong He, Kevin P. Battaile, Sheng Luan, Kunchithapadam Swaminathan. Structural Comparisons of Oxidized and Reduced FKBP13 from Arabidopsis thaliana. Proteins 65 (4), December, 789-795 (2006).
DOI: 10.1002/prot.21108		 17-ID
Sook-Kyung Kim, Sathyavelu K. Reddy, Bryant C. Nelson, Gregory B. Vasquez, Andrew Davis, Andrew J. Howard, Sean Patterson, Gary L. Gilliland, Jane E. Ladner, Prasad T. Reddy. Biochemical and Structural Characterization of the Secreted Chorismate Mutase (Rv1885c) from Mycobacterium tuberculosis H[subscript 37]R[subscript v]: an *AroQ Enzyme Not Regulated by the Aromatic Amino Acids. J. Bacteriol. 188 (24), December, 8638-8648 (2006).
DOI: 10.1128/JB.00441-06		 17-ID
Smith, N.N., Roitberg, A.E., Rivera, E., Howard, A., Holden, M.J., Mayhew, M., Kaistha, S., Gallagher, D.T. Structural analysis of ligand binding and catalysis in chorismate lyase. Arch. Biochem. Biophys. v445 pp.72-80 (2006).
DOI: :10.1016/j.abb.2005.10.02		 17-ID
2ahc
Alexey Teplyakov, Kap Lim, Peng-Peng Zhu, Geeta Kapadia, Celia C.H. Chen, Jennifer Schwartz, Andrew Howard, Prasad T. Reddy, Alan Peterkofsky, Osnat Herzberg. Structure of phosphorylated enzyme I, the phosphoenolpyruvate:sugar phosphotransferase system sugar translocation signal protein. Proc. Natl. Acad. Sci. USA 103 (44), October, 16218-16223 (2006).
DOI: 10.1073/pnas.0607587103		 17-ID
2005 Marcy Hernick, Heather A. Gennadios, Douglas A. Whittington, Kristin M. Rusche, David W. Christianson, Carol A. Fierke. UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine Deacetylase Functions through a General Acid-Base Catalyst Pair Mechanism. J. Biol. Chem. 280 (17), April, 16969-16978 (2005). 17-BM
1yhc
T. Jin, A.J. Howard, E.A. Golemis, Y. Wang, Y.-Z. Zhang. Overproduction, purification, crystallization and preliminary X-ray diffraction studies of the human spliceosomal protein TXNL4B. Acta Crystallogr. F 61 (3), March, 282-284 (2005). 17-ID
Tengchuan Jin, Andrew Howard, Erica A. Golemis, Yingtong Wang, Yu-Zhu Zhang. Overproduction, purification, crystallization and preliminary X-ray diffraction studies of the human transcription repressor ERH. Acta Crystallogr. F 61, April, 531-533 (2005).
DOI: 10.1107/S1744309105012388 		17-ID
Christopher Lehmann, Sadhana Pullalarevu, Wojciech Krajewski, Mark A. Willis, Andrey Galkin, Andrew Howard, Osnat Herzberg. Structure of HI0073 from Haemophilus influenzae, the nucleotide-binding domain of a two-protein nucleotidyl transferase. Proteins 60 (4), July, 807-811 (2005). 17-BM
1no5
Wolfram Tempel, Zhi-Jie Liu, Peter S. Horanyi, Lu Deng, Doowon Lee, M.Gary Newton, John P. Rose, Hisashi Ashida, Su-Chen Li, Yu-Teh Li, Bi-Cheng Wang. Three-dimesional structure of GlcNAc[alpha]1-4Gal releasing Endo-Galactosidase from Clostridium perfringens. Proteins 59 (1), 141-144 (2005). 17-BM
Teplyakov, A.,  Liu, S.,  Lu, Z.,  Howard, A.,  Dunaway-Mariano, D.,  Herzberg, O. Crystal Structure of the Petal Death Protein from Carnation Flower. Biochemistry v44 pp.16377-16384 (2005).
DOI: 10.1021/bi051779y		 17-ID
1zlp
Alexey Teplyakov, Galina Obmolova, John Toedt, Michael Y. Galperin, Gary L. Gilliland. Crystal Structure of the Bacterial YhcH Protein Indicates a Role in Sialic Acid Catabolism. J. Bacteriol. 187 (16), August, 5520-5527 (2005). 17-ID
2004 Andrey Galkin, Liudmila Kulakova, Elif Sarikaya, Kap Lim, Andrew Howard, Osnat Herzberg. Structural Insight into Arginine Degradation by Arginine Deiminase, an Antibacterial and Parasite Drug Target. J. Biol. Chem. 279 (14), April, 114001-14008 (2004). 17-ID
1rxx
Pavel P. Khil, Galina Obmolova, Alexey Teplyakov, Andrew J. Howard, Gary L. Gilliland, R. Daniel Camerini-Otero. Crystal structure of the Escherichia coli YjiA protein suggests a GTP-dependent regulatory function. Proteins 54 (2), 371-374 (2004). 17-ID
Christopher Lehmann, Victoria Doseeva, Sadhana Pullalarevu, Wojciech Krajewski, Andrew Howard, Osnat Herzberg. YbdK is a Carboxylate-Amine Ligase with a gamma-Glutamyl:Cysteine Ligase Activity:Crystal Structure and Enzymatic Assays. Proteins 56 (2), August, 376-383 (2004). 17-ID
Kap Lim, Elif Sarikaya, Andrey Galkin, Wojciech Krajewski, Sadhana Pullalarevu, Jae-Ho Shin, Zvi Kelman, Andrew Howard, Osnat Herzberg. Novel structure and nucleotide binding properties of HI1480 from Haemophilus influenzae: A protein with no known sequence homologues. Proteins 56 (3), 564-571 (2004). 17-ID
S. Liu, Z. Lu, Y. Han, Y. Jia, A. Howard, D. Dunaway-Mariano, O. Herzberg. Conformational Flexibility of PEP Mutase. Biochemistry-US 43 (15), April, 4447-4453 (2004). 17-BM
Alexey Teplyakov, Galina Obmolova, Elif Sarikaya, Sadhana Pullalarevu, Wojciech Krajewski, Andrey Galkin, Andrew J. Howard, Osnat Herzberg, Gary L. Gilliland. Crystal Structure of the Ygfz Protein from Escherichia Coli Suggests a Folate-Dependent Regulatory Role in One-Carbon Metabolism. J. Bacteriol. 186 (21), November, 7134-7140 (2004). 17-BM
2003 Quyen Q. Hoang, Frank Sicheri, Andrew J. Howard, Daniels S.C. Yang. Bone Recognition Mechanism of Porcine Osteocalcin From Crystal Structure. Nature, Vol. 425, October, pp.977-979 (2003). 17-ID
1q8h
Jane E. Ladner, Galina Obmolova, Alexey Teplyakov, Andrew J. Howard, Pavel P. Khil, R.Daniel Camerini-Otero, Gary L. Gilliland. Crystal structure of Escherichia coli protein ybgl, a toroidal structure with a dinuclear metal site. BMC Structural Biology 3 (7), September, 1-8 (2003). 17-ID
Christopher Lehmann, Kap Lim, Vani Rao Chalamasetty, Wojciech Krajewski, Eugene Melamud, Andrey Galkin, Andrew Howard, Zvi Kelman, Prasad T. Reddy, Alexey G. Murzin, Osnat Herzberg. The HI0073/HI0074 protein pair from Haemophilus influenzae is a member of a new nucleotidyltransferase family: structure, sequence analysis, and solution studies. Proteins 50, 2, pp. 249-260 (2003). 17-ID
1jog
Kap Lim, Aleksandra Tempczyk, Nicklas Bonander, John Toedt, Andrew Howard, Edward Eisenstein, Osnat Herzberg. A catalytic mechanism for D-Tyr-tRNATyr deacylase based on the crystal structure of Hemophilus influenzae HI0670. J. Biol. Chem 278, 15, pp. 13496-13502 (2003). 17-ID
1j7g
Alexey Teplyakov, Galina Obmolova, Nivedita Bir, Prasad Reddy, Andrew J. Howard, Gary L. Gilliland. Crystal structure of the YajQ protein from Haemophilus influenzae reveals a tandem of RNP-like domains. J. Struct. Funct. Geno. 4, 1-9 (2003). 17-BM
1in0
Alexey Teplykov, Galina Oblomova, Seung Y. Chu, John Toedt, Edward Eisenstein, Andrew J. Howard, Gary L. Gilliland. Crystal structure of the ychF protein reveals binding sites for GTP and nucleic acid. J. Bacteriol. 185, 14, pp. 4031-4037 (2003). 17-ID
Christine Schubert Wright, Qiang Zhao, Fraydoon Rastinejad. Structural Analysis of Lipid Complexes of GM2-Activator Protein. J. Mol. Biol. 331 (4), August, 951-964 (2003). 17-BM
1pu5 1pub
2002 Celia C.H. Chen, H. Zhang, A. D. Kim, A. Howard, G. M. Sheldrick, D. Mariano-Dunaway, O. Herzberg. Degradation pathway of the phosphonate ciliatine: crystal structure of 2-aminoethylphosphonate transaminase. Biochemistry-US 41, 44, pp. 13162-13169 (2002). 17-ID
1m32
B. Leif Hanson, Joel M. Harp, Kristin Kirschbaum, Constance A. Schall, Ken DeWitt, Andrew Howard, A. Alan Pinkerton, Gerard J. Bunick. Experiments testing the abatement of radiation damage in D-xylose isomerase crystals with cryogenic helium. J. Synchrotron Rad. 9, pp. 375-381 (2002). 17-ID
Osnat Herzberg, Celia C.H. Chen, Sijiu Liu, Aleksandra Tempczyk, Andrew Howard, Min Wei, Dongmei Ye, Debra Dunaway-Mariano. Pyruvate site of pyruvate phosphate dikinase: crystal structure of the enzyme-phosphonopyruvate complex, and mutant analysis. Biochemistry-US 41, 3, pp. 780-787 (2002). 17-ID
1kc7
Kyung-Jin Kim, Andrew J. Howard. Crystallization and preliminary x-ray diffraction analysis of the trigonal crystal form of Saccharomyces cerevisiae alcohol dehydrogenase I: evidence for the existence of Zn ions in the crystal. Acta Crystallogr. D58, pp. 1332-1334 (2002). 17-ID
Kyung-Jin Kim, Youngchang Kim, Kyung-Won Park, Dale A. Webster, Andrew J. Howard. Purification, crystallization and preliminary x-ray analysis of the soluble domain of the Na+ -pumping cytochrome bo quinol oxidase from Vitreoscilla. Acta Crystallogr. D58, pp. 1329-1331 (2002). 17-ID
Christopher Lehmann, Kap Lim, John Toedt, Wojciech Krajewski, Andrew Howard, Edward Eisenstein, Osnat Herzberg. Structure of 2C-methyl-D-erythrol-2,4-cyclodiphosphate synthase from Haemophilus influenzae: activation by conformational transition. Proteins 49, pp. 135-138 (2002). 17-ID
1jn1
James F. Parsons, Pia Y. Jensen, Abraham S. Pachikara, Andrew J. Howard, Edward Eisenstein, Jane E. Ladner. Structure of Escherichia coli aminodeoxychorismate synthase: architectural conservation and diversity in chorismate-utilizing enzymes. Biochemistry-US 41, 7, pp. 2198-2208 (2002). 17-ID
1k0g
Alexey Teplyakov, Galina Obmolova, Maria Tordova, Narmada Thanki, Nicklas Bonander, Edward Eisenstein, Andrew J. Howard, Gary L. Gilliland. Crystal structure of the YjeE protein from Haemophilus influenzae: a putative ATPase involved in cell wall synthesis. Proteins 48, 2, pp. 220-226 (2002). 17-ID
1htw
Mark A. Willis, Wojciech Krajewski, Vani Rao Chalamasetty, Prasad Reddy, Andrew Howard, Osnat Herzberg. Structure of HI1333 (YhbY), a putative RNA-binding protein from Haemophilus influenzae. Proteins 49, 423-426 (2002). 17-BM
1jo0
Xing Zhang, Hisashi Tamaru, Seema I. Khan, John R. Horton, Lisa J. Keefe, Eric U. Selker, Xiaodong Cheng. Structure of the Neurospora SET domain protein DIM-5, a histone H3 lysine methyltransferase. Cell 111, October, pp. 117-127 (2002). 17-ID
2001 D. Travis Gallagher, Martin Mayhew, Marcia J. Holden, Andrew Howard, Kyung-Jin Kim, Vincent L. Vilker. The crystal structure of chorismate lyase shows a new fold and a tightly retained product. Proteins 44, pp. 304-311 (2001). 17-ID
1fw9 1g81
B. Leif Hanson, Joel M. Harp, Kristin Kirschbaum, Damon A. Parrish, David E. Timm, Andrew J. Howard, A. Alan Pinkerton, Gerard J. Bunick. Macromolecular data collection with cryogenic helium. J. Cryst. Growth 232, pp. 536-544 (2001). 17-ID
Kap Lim, Hong Zhang, Aleksandra Tempczyk, Nicklas Bonander, John Toedt, Andrew Howard, Edward Eisenstein, Osnat Herzberg. Crystal structure of YecO from Haemophilus influenzae (HI0319) reveals a methyltransferase fold and a bound S-Adenosylhomocysteine. Proteins 45, pp. 397-407 (2001). 17-ID
1im8
Galina Obmolova, Alexey Teplyakov, Nicklas Bonander, Edward Eisenstein, Andrew J. Howard, Gary L. Gilliland. Crystal structure of dephospho-Coenzyme A kinase from Haemophilus inflenzae. J. Struct. Biol. 136, 2, November, pp. 119-125 (2001). 17-ID
1jjv
David A.R. Sanders, Davina N. Moothoo, James Raftery, Andrew J. Howard, John R. Helliwell, James H. Naismith. The 1.2 A resolution structure of the con A-dimannose complex. J. Mol. Biol. 310, pp. 875-884 (2001). 17-ID
1i3h
2000 Edward Eisenstein, Gary L. Gilliland, Osnat Herzberg, John Moult, John Orban, Roberto J. Poljak, Linda Banerjei, Delwood Richardson, Andrew J. Howard. Biological function made crystal clear - annotation of hypothetical proteins via structural genomics. Curr. Opin. Biotech. 11, 1, January, pp. 25-30 (2000). 17-ID 17-BM
Jane E. Ladner, Prasad Reddy, Andrew Davis, Maria Tordova, Andrew J. Howard, Gary L. Gilliland. The 1.30 A resolution structure of the Bacillus subtilis chorismate mutase catalytic homotrimer. Acta Crystallogr. D56, 6, June, pp. 673-683 (2000). 17-ID
1dbf
Murthy, H.M.,  Judge, K.,  DeLucas, L.,  Padmanabhan, R. Crystal structure of Dengue virus NS3 protease in complex with a Bowman-Birk inhibitor: implications for flaviviral polyprotein processing and drug design. J.Mol.Biol. v301 pp.759-767 (2000). 17-ID
1df9
Carrie Stover, Martin P. Mayhew, Marcia J. Holden, Andrew J. Howard, D. T. Gallagher. Crystallization and 1.1-A diffraction of chorismate lyase from Escherichia coli. J. Struct. Biol. 129, pp. 96-99 (2000). 17-ID
1999 H. M. Krishna Murthy, K. Judge, L. DeLucas, S. Clum, R. Padmanabhan. Crystallization, characterization and measurement of MAD data on crystals of dengue virus NS3 serine protease complexed with mung-bean Bowman-Birk inhibitor. Acta Crystallogr. D55, 7, July, pp. 1370-1372, (1999). 17-ID
Xiao, G.,  Tordova, M.,  Jagadeesh, J.,  Drohat, A.C.,  Stivers, J.T.,  Gilliland, G.L. Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited. Proteins v35 pp.13-24 (1999). 17-ID
4eug
1998 Andrew J. Howard. Synchrotrons and industrial structural biology. Nature Struct. Biol. 5, supplement, August, pp. 623-626 (1998). 17-ID
James B. Thoden, Sophie G. Miran, James C. Phillips, Andrew J. Howard, Frank M. Raushel, Hazel M. Holden. Carbamoyl phosphate synthetase: caught in the act of glutamine hydrolysis. Biochemistry-US 37, 25, pp. 8825-8831 (1998). 17-ID
1a9x
General Users
number of publications: 104
PDB Structures
Natalie A. Borg, Kwok S. Wun, Lars Kjer-Nielsen, Matthew C.J. Wilce, Daniel G. Pellicci, Ruide Koh, Gurdyal S. Besra, Mandvi Bharadwaj, Dale I. Godfrey, James McCluskey, Jamie Rossjohn. CD1d–lipid-antigen recognition by the semi-invariant NKT T-cell receptor. Nature 448, July, 44-49 (2007).
DOI: 10.1038/nature05907		 17-ID
Carlos Contreras-Martel, Adelio Matamala, Carola Bruna, German Poo-Caamano, Daniel Almonacid, Maximiliano Figueroa, Jose Martinez-Oyanedel, Marta Bunster. The structure at 2 Å resolution of Phycocyanin from Gracilaria chilensis and the energy transfer network in a PC–PC complex. Biophys. Chem. 125 (2-3), February, 388-396 (2007).
DOI: 10.1016/j.bpc.2006.09.014		 17-ID
Robert L. Eoff, Adriana Irimia, Karen C. Angel, Martin Egli, F. Peter Guengerich. Hydrogen Bonding of 7,8-Dihydro-8-oxodeoxyguanosine with a Charged Residue in the Little Finger Domain Determines Miscoding Events in Sulfolobus solfataricus DNA Polymerase Dpo4. J. Biol. Chem. 282 (27), July, 19831-19843 (2007).
DOI: 10.1074/jbc.M702290200		 17-ID
Gustavo Fenalti, Ruby H.P. Law, Ashley M. Buckle, Christopher Langendorf, Kellie Tuck, Carlos J. Rosado, Noel G. Faux, Khalid Mahmood, Christiane S. Hampe, J. Paul Banga, Matthew Wilce, Jason Schmidberger, Jamie Rossjohn, Ossama El-Kabbani, Robert N. Pike, A. Ian Smith, Ian R. Mackay, Merrill J. Rowley, James C. Whisstock. GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop. Nat. Struct. Mol. Biol. 14 (4), April, 280-286 (2007).
DOI: 10.1038/nsmb1228		 17-ID
Daniel J. Ferraro, Eric N. Brown, Chi-Li Yu, Rebecca E. Parales, David T. Gibson, S. Ramaswamy. Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. BMC Struct. Biol. 7 (10), March, 1-14 (2007).
DOI: 10.1186/1472-6807-7-10		 17-ID
Andrey Galkin, Liudmila Kulakova, Eugene Melamud, Ling Li, Chun Wu, Patrick Mariano, Debra Dunaway-Mariano, Theodore E. Nash, Osnat Herzberg. Characterization, Kinetics, and Crystal Structures of Fructose-1,6-bisphosphate Aldolase from the Human Parasite, Giardia lamblia. J. Biol. Chem. 282 (7), February, 4859-4867 (2007).
DOI: 10.1074/jbc.M609534200		 17-ID
Michael Kemp, Brian Bae, John Paul Yu, Maloy Ghosh, Michael Leffak, Satish K. Nair. Structure and Function of the c-myc DNA-unwinding Element-binding Protein DUE-B. J. Biol. Chem. 282 (14), April, 10441-10448 (2007).
DOI: 10.1074/jbc.M609632200		 17-ID
Derrick J. Kolling, Joseph S. Brunzelle, SanMoon Lhee, Antony R. Crofts, Satish K. Nair. Atomic Resolution Structures of Rieske Iron-Sulfur Protein: Role of Hydrogen Bonds in Tuning the Redox Potential of Iron-Sulfur Clusters. Structure 15 (1), January, 29-38 (2007).
DOI: 10.1016/j.str.2006.11.012		 17-ID
Qianzhi Li, Mark R. Nance, Rima Kulikauskas, Kevin Nyberg, Richard Fehon, P. Andrew Karplus, Anthony Bretscher, John J.G. Tesmer. Self-masking in an Intact ERM-merlin Protein: An Active Role for the Central [alpha]-Helical Domain. J. Mol. Biol. 365 (5), February, 1446-1459 (2007).
DOI: 10.1016/j.jmb.2006.10.075		 17-ID
Heli Liu, Xiaoyan Chen, Pamela J. Focia, Xiaolin He. Structural basis for stem cell factor–KIT signaling and activation of class III receptor tyrosine kinases. EMBO J. 26 (3), February, 891-901 (2007).
DOI: 10.1038/sj.emboj.7601545		 17-ID
M.T. Murakami, J. Rios-Steiner, S.E. Weaver, A. Tulinsky, J.H. Geiger, R.K. Arni. Intermolecular Interactions and Characterization of the Novel Factor Xa Exosite Involved in Macromolecular Recognition and Inhibition: Crystal Structure of Human Gla-domainless Factor Xa Complexed with the Anticoagulant Protein NAPc2 from the Hematophagous Nematode Ancylostoma caninum. J. Mol. Biol. 366 (2), February, 602-610 (2007).
DOI: 10.1016/j.jmb.2006.11.040		 17-ID 17-BM
Wolfram Tempel, Wael M. Rabeh, Katrina L. Bogan, Peter Belenky, Marzena Wojcik, Heather F. Seidle, Lyudmila Nedyalkova, Tianle Yang, Anthony A. Sauve, Hee-Won Park, Charles Brenner. Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD[superscript +]. PLoS Biol. 5 (10), October, e263-1-e263-11 (2007).
DOI: 10.371/journal.pbio.0050263		 17-ID
Sharon A. Townson, James C. Samuelson, Yongming Bao, Shuang-yong Xu, Aneel K. Aggarwal. BstYI Bound to Noncognate DNA Reveals a 'Hemispecific' Complex: Implications for DNA Scanning. Structure 15 (4), April, 449-459 (2007).
DOI: 10.1016/j.str.2007.03.002		 17-ID
Fleur E. Tynan, Hugh H. Reid, Lars Kjer-Nielsen, John J. Miles, Matthew C.J. Wilce, Lyudmila Kostenko, Natalie A. Borg, Nicholas A. Williamson, Travis Beddoe, Anthony W. Purcell, Scott R. Burrows, James McCluskey, Jamie Rossjohn. A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule. Nat. Immunol. 8 (3), March, 268-276 (2007).
DOI: 10.1038/ni1432		 17-ID
Masoud Vedadi, Jocelyne Lew, Jennifer Artz, Mehrnaz Amani, Yong Zhao, Aiping Dong, Gregory A. Wasney, Mian Gao, Tanya Hills, Stephen Brokx, Wei Qiu, Sujata Sharma, Angelina Diassiti, Zahoor Alam, Michelle Melone, Anne Mulichak, Amy Wernimont, James Bray, Peter Loppnau, Olga Plotnikova, Kate Newberry, Emayavaram Sundararajan, Simon Houston, John Walker, Wolfram Tempel, Alexey Bochkarev, Ivona Kozieradzki, Aled Edwards, Cheryl Arrowsmith, David Roos, Kevin Kain, Raymond Hui. Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol. Biochem. Parasit. 151 (1), January, 100-110 (2007).
DOI: 10.1016/j.molbiopara.2006.10.011		 17-ID 17-BM
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Bryan W. Lepore, Frank J. Ruzicka, Perry A. Frey, Dagmar Ringe. The x-ray crystal structure of lysine-2,3-aminomutase from Clostridium subterminale. Proc. Natl. Acad. Sci. USA 102 (39), September, 13819-13824 (2005). 17-ID
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Marina Mapelli, Santosh Panjikar, Paul A. Tucker. The Crystal Structure of the Herpes Simplex Virus 1 ssDNA-binding Protein Suggests the Structural Basis for Flexible, Cooperative Single-stranded DNA Binding. J. Biol. Chem. 280 (4), January, 2990-2997 (2005). 17-ID
Philip Martin, John F. Vickrey, Gheorghe Proteasa, Yurytzy L. Jimenez, Zdzislaw Wawrzak, Mark A. Winters, Thomas C. Merigan, Ladislau C. Kovari. 'Wide-Open' 1.3 Å Structure of a Multidrug-Resistant HIV-1 Protease as a Drug Target. Structure 13 (12), December, 1887-1895 (2005).
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Norbert Schormann, Biswajit Pal, Olga Senkovich, Mike Carson, Andrew Howard, Craig Smith, Lawrence DeLucas, Debasish Chattopadhyay. Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor. J. Struct. Biol. 152 (1), October, 64-75 (2005). 17-ID
Christopher J. Squire, James M. Dickson, Ivan Ivanovic, Edward N. Baker. Structure and Inhibition of the Human Cell Cycle Checkpoint Kinase, Wee1A Kinase: An AtypicalTyrosine Kinase with a Key Role in CDK1 Regulation. Structure 13 (4), April, 541-550 (2005). 17-ID
Michael D.L. Suits, Gour P. Pal, Kanji Nakatsu, Allan Matte, Miroslaw Cygler, Zongchao Jia. Identification of an Escherichia coli O157:H7 heme oxygenase with tandem functional repeats. Proc. Natl. Acad. Sci. USA 102 (47), November, 16955-16960 (2005). 17-ID
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Lu Deng, Natalia G. Starostina, Zhi-Jie Liu, John P. Rose, Rebecca M. Terns, Michael P. Terns, Bi-Cheng Wang. Structure determination of fibrillarin from the hyperthermophilic archaeon Pyrococcus furiosus. Biochem. Biophys. Res. Commun. 315 (3), March, 726-732 (2004). 17-ID
Collin M. Dyer, Michael L. Quillina, Andres Campos, Justine Lu, Megan M. McEvoy, Andrew C. Hausrath, Edwin M. Westbrook, Philip Matsumura, Brian W. Matthews, Frederick W. Dahlquist. Structure of the Constitutively Active Double Mutant CheY[superscript D13K Y106W] Alone and in Complex with a FliM Peptide. J. Mol. Biol. 342 (4), September, 1325-1335 (2004). 17-ID
Christopher Etzkorn, Nancy C. Horton. Mechanistic Insights from the Structures of Hincii Bound to Cognate DNA Cleaved from Addition of Mg(2+) and Mn(2+). J. Mol. Biol. 343 (4), October, 833-849 (2004). 17-BM
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Ardeshir Vahedi-Faridi, Pierre-Alexandre Brault, Priya Shah, Yong-Wah Kim, William R. Dunham, Max O. Funk, Jr. Interaction between Non-Heme Iron of Lipoxygenases and Cumene Hydroperoxide: Basis for Enzyme Activation, Inactivation, and Inhibition. J. Am. Chem. Soc. 126 (7), January, 2005-2015 (2004). 17-ID
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Jin Xiangshu, Kathleen M. Foley, James H. Geiger. The Structure of the 1L-myo-inositol-1-phosphate Synthase-NAD[superscript +]-2-deoxy-D-glucitol 6-(E)-Vinylhomophosphonate Complex Demands a Revision of the Enzyme Mechanism. J. Biol. Chem. 279 (14), April, 13889-13895 (2004). 17-ID
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Xiugong Gao, Xiaoling Wen, Lothar Esser, Byron Quinn, Linda Yu, Chang-An Yu, Di Xia. Structural basis for the quinone reduction in the bc1 complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc1 with bound substrate and inhibirotrs at the Qi site. Biochemistry, 42, pp. 9067-9080 (2003). 17-ID
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Andreas Karlsson, Juanito V. Parales, Rebecca E. Parales, David T. Gibson, Hans Eklund, S. Ramaswamy. Crystal structure of naphthalene dioxygenase: side-on binding of dioxygen to iron. Science 299, pp. 1039-1042 (2003). 17-ID
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M. Suresh Kumar, M. Carson, M. Mahmood Hussain, H.M. Krishna Murthy. Structures of Apoliporotein A-II and a Lipid-Surrogate Complex Provide Insights into Apolipoprotein-Lipid Interactions. Biochemistry, 41, pp. 11681-11691 (2002). 17-ID
Songlin Li, Jim Finley, Zhi-Jie Liu, Shi-Hong Qiu, Hongli Chen, Chi-Hao Luan, Mike Carson, Jun Tsao, David Johnson, Guangda Lin, Jun Zhao, Willie Thomas, Lisa A. Nagy, Bingdong Sha, Lawrence J. DeLucas, Bi-Cheng Wang, Ming Luo. Crystal Structure of the Cytoskeleton-associated Protein Glycine-rich (CAP-Gly) Domain. J. Biol. Chem. 277 (50), December, 48596-48601 (2002). 17-ID
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S.P. Montano, M.L. Cote, M. Pierce, A.K. Vershon, M.M. Georgiadis. The crystal structure of a novel DNA-binding domain from Ndt80, a transcriptional activator required for meiosis in yeast. Proc. Natl. Acad. Sci. USA 99, 14041-14046 (2002). 17-ID
Ludovic R. Otterbein, Jolanta Kordowska, Carlos Witte-Hoffmann, C.-L. Albert Wang, Roberto Dominguez. Crystal structures of S100A6 in the Ca2+-free and Ca2+-bound states: the calcium sensor mechanism of S100 proteins revealed at atomic resolution. Structure 10, April, pp. 557-567 (2002). 17-ID
Jason Phan, Alexander Zdanov, Artem G. Evdokimov, Joseph E. Tropea, Howard K. Peters III, Rachel B. Kapust, Mi Li, Alexander Wlodawer, David S. Waugh. Structural basis for the substrate specificity of tobacco etch virus protease. J. Biol. Chem. 277, 52, December, pp. 50564-50572 (2002). 17-ID
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Valentina Tereshko, Christopher J. Wilds, George Minasov, Thaza P. Prakash, Martin A. Maier, Andrew J. Howard, Zdzislaw Wawrzak, Muthiah Manoharan, Martin Egli. Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments. Nucleic Acids Res. 29, 5, March, pp. 1208-1215 (2001). 17-ID
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2000 Zhi-Jie Liu, Eugene S. Vysotski, Chun-Jung Chen, John P. Rose, John Lee, Bi-Cheng Wang. Structure of the Ca2+ -regulated photoprotein obelin at 1.7 A resolution determined directly from its sulfur substructure. Protein Science 9, pp. 2085-2093 (2000). 17-ID
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Lukacs, C.M.,  Kucera, R.,  Schildkraut, I.,  Aggarwal, A.K. Understanding the immutability of restriction enzymes: crystal structure of BglII and its DNA substrate at 1.5 A resolution. Nature Structural Biology v7 pp.134-140 (2000). 17-ID
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Bart L. Staker, Philipp Korber, James C.A. Bardwell, Mark A. Saper. Structure of Hsp15 reveals a novel RNA-binding motif. EMBO J. 19, 4, pp. 749-757 (2000). 17-ID
1999 Karl Volz. A test case for structure-based functional assignment: the 1.2 A crystal structure of the yjgF gene product from Escherichia coli. Protein Science 8, pp. 2428-2437 (1999). 17-ID
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Erli Zhang, Robert St. Charles, A. Tulinsky. Structure of extracellular tissue factor complexed with factor VIIa inhibited with a BPTI mutant. J. Mol. Biol. 285, pp. 2089-2104 (1999). 17-ID
1fak
1998

 

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