1HFS
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1FKD
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![BU of 1fkd by Molmil](/molmil-images/mine/1fkd) | FK-506 BINDING PROTEIN: THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX WITH THE ANTAGONIST L-685,818 | Descriptor: | 18-HYDROXYASCOMYCIN, FK506 BINDING PROTEIN | Authors: | Becker, J.W, Rotonda, J, Mckeever, B.M. | Deposit date: | 1992-12-02 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | FK-506-binding protein: three-dimensional structure of the complex with the antagonist L-685,818. J.Biol.Chem., 268, 1993
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1BMG
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1IBC
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2FKE
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![BU of 2fke by Molmil](/molmil-images/mine/2fke) | FK-506-BINDING PROTEIN: THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX WITH THE ANTAGONIST L-685,818 | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN | Authors: | Becker, J.W, Mckeever, B.M, Rotonda, J. | Deposit date: | 1993-01-27 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | FK-506-binding protein: three-dimensional structure of the complex with the antagonist L-685,818. J.Biol.Chem., 268, 1993
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1RHJ
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1RHM
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1RHK
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1RHR
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1RHQ
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1RHU
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![BU of 1rhu by Molmil](/molmil-images/mine/1rhu) | CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR | Descriptor: | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3 | Authors: | Becker, J.W, Rotonda, J, Soisson, S.M. | Deposit date: | 2003-11-14 | Release date: | 2004-05-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis. J.Med.Chem., 47, 2004
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1SLM
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1SLN
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1QPF
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![BU of 1qpf by Molmil](/molmil-images/mine/1qpf) | FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-709,858 | Descriptor: | C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN), heptyl beta-D-glucopyranoside | Authors: | Becker, J.W, Rotonda, J. | Deposit date: | 1999-05-24 | Release date: | 1999-08-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein. J.Med.Chem., 42, 1999
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1QPL
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![BU of 1qpl by Molmil](/molmil-images/mine/1qpl) | FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-707,587 | Descriptor: | C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN) | Authors: | Becker, J.W, Rotonda, J. | Deposit date: | 1999-05-25 | Release date: | 1999-08-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein. J.Med.Chem., 42, 1999
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1RE1
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3BEJ
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![BU of 3bej by Molmil](/molmil-images/mine/3bej) | Structure of human FXR in complex with MFA-1 and co-activator peptide | Descriptor: | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | Authors: | Soisson, S.M, Parthasarathy, G, Becker, J.W. | Deposit date: | 2007-11-19 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4Z9L
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![BU of 4z9l by Molmil](/molmil-images/mine/4z9l) | THE STRUCTURE OF JNK3 IN COMPLEX WITH AN IMIDAZOLE-PYRIMIDINE INHIBITOR | Descriptor: | CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Scapin, G, Patel, S.B, Lisnock, J, Becker, J.W, Lograsso, P.V, Smart, O.S, Bricogne, G. | Deposit date: | 2015-04-10 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity. Chem.Biol., 10, 2003
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2B7Y
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![BU of 2b7y by Molmil](/molmil-images/mine/2b7y) | Fava Bean Lectin-Glucose Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Favin alpha chain, ... | Authors: | Reeke Jr, G.N, Becker, J.W. | Deposit date: | 2005-10-05 | Release date: | 2005-10-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Three-dimensional structure of favin: saccharide binding-cyclic permutation in leguminous lectins Science, 234, 1986
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2CNA
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![BU of 2cna by Molmil](/molmil-images/mine/2cna) | THE COVALENT AND THREE-DIMENSIONAL STRUCTURE OF CONCANAVALIN A, IV.ATOMIC COORDINATES,HYDROGEN BONDING,AND QUATERNARY STRUCTURE | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | Authors: | Reekejunior, G.N, Becker, J.W, Edelman, G.M. | Deposit date: | 1975-04-01 | Release date: | 1977-03-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The covalent and three-dimensional structure of concanavalin A. IV. Atomic coordinates, hydrogen bonding, and quaternary structure. J.Biol.Chem., 250, 1975
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1YAT
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1IAU
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![BU of 1iau by Molmil](/molmil-images/mine/1iau) | HUMAN GRANZYME B IN COMPLEX WITH AC-IEPD-CHO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GRANZYME B, ... | Authors: | Rotonda, J, Garcia-Calvo, M, Bull, H.G, Geissler, W.M, McKeever, B.M, Willoughby, C.A, Thornberry, N.A, Becker, J.W. | Deposit date: | 2001-03-23 | Release date: | 2001-05-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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, 2001
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1OUK
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![BU of 1ouk by Molmil](/molmil-images/mine/1ouk) | The structure of p38 alpha in complex with a pyridinylimidazole inhibitor | Descriptor: | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G. | Deposit date: | 2003-03-24 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity Nat.Struct.Biol., 10, 2003
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2FJM
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![BU of 2fjm by Molmil](/molmil-images/mine/2fjm) | The structure of phosphotyrosine phosphatase 1B in complex with compound 2 | Descriptor: | (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Asante-Appiah, E, Patel, S, Desponts, C, Taylor, J.M, Lau, C, Dufresne, C, Therien, M, Friesen, R, Becker, J.W, Leblanc, Y, Scapin, G. | Deposit date: | 2006-01-03 | Release date: | 2006-01-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase. J.Biol.Chem., 281, 2006
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2FJN
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![BU of 2fjn by Molmil](/molmil-images/mine/2fjn) | The structure of phosphotyrosine phosphatase 1B in complex with compound 2 | Descriptor: | (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID, CHLORIDE ION, Tyrosine-protein phosphatase, ... | Authors: | Asante-Appiah, E, Patel, S, Desponts, C, Taylor, J.M, Lau, C, Dufresne, C, Therien, M, Friesen, R, Becker, J.W, Leblanc, Y, Kennedy, B.P, Scapin, G. | Deposit date: | 2006-01-03 | Release date: | 2006-01-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase. J.Biol.Chem., 281, 2006
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