6FKA
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![BU of 6fka by Molmil](/molmil-images/mine/6fka) | Crystal structure of N2C/D282C stabilized opsin bound to RS11 | Descriptor: | (2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ... | Authors: | Mattle, D, Standfuss, J, Dawson, R. | Deposit date: | 2018-01-23 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ligand channel in pharmacologically stabilized rhodopsin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FK9
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![BU of 6fk9 by Molmil](/molmil-images/mine/6fk9) | Crystal structure of N2C/D282C stabilized opsin bound to RS09 | Descriptor: | (2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ... | Authors: | Mattle, D, Standfuss, J, Dawson, R. | Deposit date: | 2018-01-23 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Ligand channel in pharmacologically stabilized rhodopsin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1II5
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![BU of 1ii5 by Molmil](/molmil-images/mine/1ii5) | |
4JS7
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![BU of 4js7 by Molmil](/molmil-images/mine/4js7) | |
3POM
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![BU of 3pom by Molmil](/molmil-images/mine/3pom) | |
4OP0
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![BU of 4op0 by Molmil](/molmil-images/mine/4op0) | Crystal structure of biotin protein ligase (RV3279C) of Mycobacterium tuberculosis, complexed with biotinyl-5'-AMP | Descriptor: | BIOTINYL-5-AMP, BirA bifunctional protein, SULFATE ION | Authors: | Ma, Q, Wilmanns, M, Akhter, Y. | Deposit date: | 2014-02-04 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Active site conformational changes upon reaction intermediate biotinyl-5'-AMP binding in biotin protein ligase from Mycobacterium tuberculosis. Protein Sci., 23, 2014
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1T63
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![BU of 1t63 by Molmil](/molmil-images/mine/1t63) | Crystal Structure of the Androgen Receptor Ligand Binding Domain with DHT and a peptide derived from its physiological coactivator GRIP1 NR box3 | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2 | Authors: | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K. | Deposit date: | 2004-05-05 | Release date: | 2005-01-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor. J.Biol.Chem., 280, 2005
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1Z7J
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![BU of 1z7j by Molmil](/molmil-images/mine/1z7j) | Human transthyretin (also called prealbumin) complex with 3, 3',5,5'-tetraiodothyroacetic acid (t4ac) | Descriptor: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Transthyretin | Authors: | Neumann, P, Wojtczak, A, Cody, V. | Deposit date: | 2005-03-25 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand binding at the transthyretin dimer-dimer interface: structure of the transthyretin-T4Ac complex at 2.2 Angstrom resolution. Acta Crystallogr.,Sect.D, 61, 2005
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5AH7
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![BU of 5ah7 by Molmil](/molmil-images/mine/5ah7) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | Descriptor: | (3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | Deposit date: | 2015-02-05 | Release date: | 2015-02-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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5AHB
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![BU of 5ahb by Molmil](/molmil-images/mine/5ahb) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | Descriptor: | (3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | Deposit date: | 2015-02-05 | Release date: | 2015-05-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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5AHA
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![BU of 5aha by Molmil](/molmil-images/mine/5aha) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | Descriptor: | (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | Deposit date: | 2015-02-05 | Release date: | 2015-05-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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5AH8
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![BU of 5ah8 by Molmil](/molmil-images/mine/5ah8) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | Descriptor: | (3R,3aS,4R,6aR)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | Deposit date: | 2015-02-05 | Release date: | 2015-05-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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5AH6
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![BU of 5ah6 by Molmil](/molmil-images/mine/5ah6) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | Descriptor: | (3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | Deposit date: | 2015-02-05 | Release date: | 2015-05-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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1FZC
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![BU of 1fzc by Molmil](/molmil-images/mine/1fzc) | CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN WITH TWO DIFFERENT BOUND LIGANDS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Everse, S.J, Spraggon, G, Veerapandian, L, Riley, M, Doolittle, R.F. | Deposit date: | 1998-05-19 | Release date: | 1998-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of fragment double-D from human fibrin with two different bound ligands. Biochemistry, 37, 1998
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1JDE
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![BU of 1jde by Molmil](/molmil-images/mine/1jde) | K22A mutant of pyruvate, phosphate dikinase | Descriptor: | PYRUVATE, PHOSPHATE DIKINASE, SULFATE ION | Authors: | Ye, D, Wei, M, McGuire, M, Huang, K, Kapadia, G, Herzberg, O, Martin, B.M, Dunaway-Mariano, D. | Deposit date: | 2001-06-13 | Release date: | 2001-11-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Investigation of the catalytic site within the ATP-grasp domain of Clostridium symbiosum pyruvate phosphate dikinase. J.Biol.Chem., 276, 2001
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1IIT
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![BU of 1iit by Molmil](/molmil-images/mine/1iit) | GLUR0 LIGAND BINDING CORE COMPLEX WITH L-SERINE | Descriptor: | SERINE, Slr1257 protein | Authors: | Mayer, M.L, Olson, R, Gouaux, E. | Deposit date: | 2001-04-24 | Release date: | 2001-09-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanisms for ligand binding to GluR0 ion channels: crystal structures of the glutamate and serine complexes and a closed apo state. J.Mol.Biol., 311, 2001
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1TXF
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![BU of 1txf by Molmil](/molmil-images/mine/1txf) | |
6D28
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![BU of 6d28 by Molmil](/molmil-images/mine/6d28) | Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with the specific ligand NECA | Descriptor: | 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, Endoplasmin, N-ETHYL-5'-CARBOXAMIDO ADENOSINE | Authors: | Soldano, K.L, Jivan, A, Nicchitta, C.V, Gewirth, D.T. | Deposit date: | 2018-04-13 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the N-terminal domain of GRP94. Basis for ligand specificity and regulation. J. Biol. Chem., 278, 2003
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7TI7
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5VVM
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![BU of 5vvm by Molmil](/molmil-images/mine/5vvm) | |
2P1N
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![BU of 2p1n by Molmil](/molmil-images/mine/2p1n) | Mechanism of Auxin Perception by the TIR1 Ubiqutin Ligase | Descriptor: | (2,4-DICHLOROPHENOXY)ACETIC ACID, Auxin-responsive protein IAA7, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, C, Zheng, N. | Deposit date: | 2007-03-06 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of auxin perception by the TIR1 ubiquitin ligase Nature, 446, 2007
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1AOQ
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1AOF
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![BU of 1aof by Molmil](/molmil-images/mine/1aof) | CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED FORM | Descriptor: | HEME D, NITRITE REDUCTASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Williams, P.A, Fulop, V. | Deposit date: | 1997-07-02 | Release date: | 1997-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Haem-ligand switching during catalysis in crystals of a nitrogen-cycle enzyme. Nature, 389, 1997
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1AOM
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4JJO
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![BU of 4jjo by Molmil](/molmil-images/mine/4jjo) | |