1W0E
 
 | | Crystal structure of human cytochrome P450 3A4 | | Descriptor: | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | | Deposit date: | 2004-06-03 | | Release date: | 2004-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
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8SWH
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2PZY
 | | Structure of MK2 Complexed with Compound 76 | | Descriptor: | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, MAP kinase-activated protein kinase 2, STAUROSPORINE | | Authors: | White, A, Wu, J.P, Wang, J, Abeywardane, A, Andersen, D, Emmanuel, M, Gautschi, E, Goldberg, D.R, Kashem, M.A, Lukas, S, Mao, W, Martin, L, Morwick, T, Moss, N, Pargellis, C, Patel, U.R, Patnaude, L, Peet, G.W, Skow, D, Snow, R.J, Ward, Y, Werneburg, B. | | Deposit date: | 2007-05-18 | | Release date: | 2007-07-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The discovery of carboline analogs as potent MAPKAP-K2 inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
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3G61
 | | Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding | | Descriptor: | (4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1a | | Authors: | Aller, S.G, Yu, J, Ward, A, Weng, Y, Chittaboina, S, Zhuo, R, Harrell, P.M, Trinh, Y.T, Zhang, Q, Urbatsch, I.L, Chang, G. | | Deposit date: | 2009-02-05 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (4.35 Å) | | Cite: | Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.
Science, 323, 2009
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3G60
 | | Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding | | Descriptor: | (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1a | | Authors: | Aller, S.G, Yu, J, Ward, A, Weng, Y, Chittaboina, S, Zhuo, R, Harrell, P.M, Trinh, Y.T, Zhang, Q, Urbatsch, I.L, Chang, G. | | Deposit date: | 2009-02-05 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (4.4 Å) | | Cite: | Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.
Science, 323, 2009
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3G5U
 | | Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding | | Descriptor: | MERCURY (II) ION, Multidrug resistance protein 1a | | Authors: | Aller, S.G, Yu, J, Ward, A, Weng, Y, Chittaboina, S, Zhuo, R, Harrell, P.M, Trinh, Y.T, Zhang, Q, Urbatsch, I.L, Chang, G. | | Deposit date: | 2009-02-05 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.
Science, 323, 2009
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5AIS
 | | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | | Descriptor: | 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | | Authors: | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | | Deposit date: | 2015-02-17 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
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5AIX
 | | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | | Descriptor: | 6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | | Authors: | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | | Deposit date: | 2015-02-18 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
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5AIV
 | | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | | Descriptor: | 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | | Authors: | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | | Deposit date: | 2015-02-17 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
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1OG2
 | | Structure of human cytochrome P450 CYP2C9 | | Descriptor: | CYTOCHROME P450 2C9, HEME C | | Authors: | Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H. | | Deposit date: | 2003-04-23 | | Release date: | 2003-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
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1OG5
 | | Structure of human cytochrome P450 CYP2C9 | | Descriptor: | CYTOCHROME P450 2C9, HEME C, S-WARFARIN | | Authors: | Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H. | | Deposit date: | 2003-04-24 | | Release date: | 2003-07-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
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7MEM
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2Y6D
 | | The Discovery of MMP7 Inhibitors Exploiting a Novel Selectivity Trigger | | Descriptor: | CALCIUM ION, MATRILYSIN, N-[(2S)-1-[4-(5-BROMOPYRIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL-5-PYRIMIDIN-2-YL-PENTAN-2-YL]-N-HYDROXY-METHANAMIDE, ... | | Authors: | Edman, K, Furber, M, Hemsley, P, Johansson, C, Pairaudeau, G, Petersen, J, Stocks, M, Tervo, A, Ward, A, Wells, E, Wissler, L. | | Deposit date: | 2011-01-20 | | Release date: | 2011-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger.
Chemmedchem, 6, 2011
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2Y6C
 | | The Discovery of MMP7 inhibitors Exploiting a Novel Selectivity Trigger | | Descriptor: | CALCIUM ION, MATRILYSIN, N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN, ... | | Authors: | Edman, K, Furber, M, Hemsley, P, Johansson, C, Pairaudeau, G, Petersen, J, Stocks, M, Tervo, A, Ward, A, Wells, E, Wissler, L. | | Deposit date: | 2011-01-20 | | Release date: | 2011-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger.
Chemmedchem, 6, 2011
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2XQB
 | | Crystal Structure of anti-IL-15 Antibody in Complex with human IL-15 | | Descriptor: | ANTI-IL-15 ANTIBODY, INTERLEUKIN 15, SULFATE ION | | Authors: | Lowe, D.C, Gerhardt, S, Ward, A, Hargreaves, D, Anderson, M, StGallay, S, Vousden, K, Ferraro, F, Pauptit, R.A, Cochrane, D, Pattison, D.V, Buchanan, C, Popovic, B, Finch, D.K, Wilkinson, T, Sleeman, M, Vaughan, T.J, Cruwys, S, Mallinder, P.R. | | Deposit date: | 2010-09-01 | | Release date: | 2010-12-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Engineering a High Affinity Anti-Il-15 Antibody: Crystal Structure Reveals an Alpha-Helix in Vh Cdr3 as Key Component of Paratope.
J.Mol.Biol., 406, 2011
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4URJ
 | | Crystal structure of human BJ-TSA-9 | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN FAM83A | | Authors: | Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A. | | Deposit date: | 2014-06-30 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Crystal Structure of Human Bj-Tsa-9
To be Published
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4V24
 | | Sphingosine kinase 1 in complex with PF-543 | | Descriptor: | ACETATE ION, SPHINGOSINE KINASE 1, {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL | | Authors: | Elkins, J.M, Wang, J, Sorrell, F, Tallant, C, Wang, D, Shrestha, L, Bountra, C, von Delft, F, Knapp, S, Edwards, A. | | Deposit date: | 2014-10-05 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Sphingosine Kinase 1 with Pf-543.
Acs Med.Chem.Lett., 5, 2014
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2DFD
 | | Crystal Structure of Human Malate Dehydrogenase Type 2 | | Descriptor: | ALANINE, CHLORIDE ION, D-MALATE, ... | | Authors: | Ugochukwu, E, Shafqat, N, Rojkova, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-02-28 | | Release date: | 2006-03-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Human Malate Dehydrogenase Type 2
To be Published
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1TU9
 | | Crystal Structure of a Protein PA3967, a Structurally Highly Homologous to a Human Hemoglobin, from Pseudomonas aeruginosa PAO1 | | Descriptor: | 1,2-ETHANEDIOL, PROPANOIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kim, Y, Joachimiak, A, Skarina, T, Egorova, O, Bochkarev, A, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-06-24 | | Release date: | 2004-08-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structure of PA3967 from Pseudomonas aeruginosa PAO1, a Hypothetical Protein which is highly homologous to human Hemoglobin in structure.
To be Published
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1U2X
 | | Crystal Structure of a Hypothetical ADP-dependent Phosphofructokinase from Pyrococcus horikoshii OT3 | | Descriptor: | ADP-specific phosphofructokinase, SULFATE ION | | Authors: | Wong, A.H.Y, Jia, Z, Skarina, T, Walker, J.R, Arrowsmith, C, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-07-20 | | Release date: | 2004-09-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ADP-dependent 6-phosphofructokinase from Pyrococcus horikoshii OT3: structure determination and biochemical characterization of PH1645.
J.Biol.Chem., 284, 2009
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1U60
 | | MCSG APC5046 Probable glutaminase ybaS | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Probable glutaminase ybaS | | Authors: | Chang, C, Cuff, M.E, Joachimiak, A, Savchenko, A, Edwards, A, Skarina, T, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-07-28 | | Release date: | 2004-09-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Functional and structural characterization of four glutaminases from Escherichia coli and Bacillus subtilis.
Biochemistry, 47, 2008
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1U83
 | | PSL synthase from Bacillus subtilis | | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphosulfolactate synthase | | Authors: | Cuff, M.E, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-08-04 | | Release date: | 2004-09-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PSL synthase from Bacillus subtilis
TO BE PUBLISHED
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1U0K
 | | The structure of a Predicted Epimerase PA4716 from Pseudomonas aeruginosa | | Descriptor: | gene product PA4716 | | Authors: | Cuff, M.E, Ginell, S.L, Rotella, F.J, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-07-13 | | Release date: | 2004-09-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structure of hypothetical protein PA4716 from Pseudomonas aeruginosa
TO BE PUBLISHED
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1U7I
 | | Crystal Structure of Protein of Unknown Function PA1358 from Pseudomonas aeruginosa | | Descriptor: | hypothetical protein | | Authors: | Osipiuk, J, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-08-03 | | Release date: | 2004-08-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-ray crystal structure of hypothetical protein PA1358 from Pseudomonas aeruginosa
To be Published
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1U69
 | | Crystal Structure of PA2721 Protein of Unknown Function from Pseudomonas aeruginosa PAO1 | | Descriptor: | hypothetical protein | | Authors: | Nocek, B, Cuff, M, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-07-29 | | Release date: | 2004-09-21 | | Last modified: | 2014-11-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 1.6 A crystal structure of a PA2721 protein from pseudomonas aeruginosa--a potential drug-resistance protein.
Proteins, 63, 2006
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