3FUZ
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![BU of 3fuz by Molmil](/molmil-images/mine/3fuz) | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with L-glutamate in space group P1 | Descriptor: | GLUTAMIC ACID, Glutamate receptor, ionotropic kainate 1, ... | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2009-01-15 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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3FVN
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![BU of 3fvn by Molmil](/molmil-images/mine/3fvn) | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with 9-deoxy-neodysiherbaine A in space group P1 | Descriptor: | (2R,3aR,7R,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid, GLYCEROL, Glutamate receptor, ... | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2009-01-16 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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1ARV
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![BU of 1arv by Molmil](/molmil-images/mine/1arv) | CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ... | Authors: | Fukuyama, K, Kunishima, N, Amada, F. | Deposit date: | 1995-04-25 | Release date: | 1996-01-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis. J.Biol.Chem., 270, 1995
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1ARU
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![BU of 1aru by Molmil](/molmil-images/mine/1aru) | CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ... | Authors: | Fukuyama, K, Kunishima, N, Amada, F. | Deposit date: | 1995-04-25 | Release date: | 1996-01-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis. J.Biol.Chem., 270, 1995
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2HB3
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![BU of 2hb3 by Molmil](/molmil-images/mine/2hb3) | Wild-type HIV-1 Protease in complex with potent inhibitor GRL06579 | Descriptor: | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2006-06-13 | Release date: | 2006-08-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-Based Design of Novel HIV-1 Protease Inhibitors To Combat Drug Resistance. J.Med.Chem., 49, 2006
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3FVG
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![BU of 3fvg by Molmil](/molmil-images/mine/3fvg) | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with MSVIII-19 in space group P1 | Descriptor: | (2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid, GLYCEROL, Glutamate receptor, ... | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2009-01-15 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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3FV2
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![BU of 3fv2 by Molmil](/molmil-images/mine/3fv2) | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with neodysiherbaine A in space group P1 | Descriptor: | (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, GLYCEROL, Glutamate receptor, ... | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2009-01-15 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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1RT1
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![BU of 1rt1 by Molmil](/molmil-images/mine/1rt1) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442 | Descriptor: | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. | Deposit date: | 1996-03-16 | Release date: | 1997-04-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J.Med.Chem., 39, 1996
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1RT2
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![BU of 1rt2 by Molmil](/molmil-images/mine/1rt2) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH TNK-651 | Descriptor: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. | Deposit date: | 1996-03-16 | Release date: | 1997-04-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J.Med.Chem., 39, 1996
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1ARX
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![BU of 1arx by Molmil](/molmil-images/mine/1arx) | CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | Authors: | Fukuyama, K, Kunishima, N, Amada, F. | Deposit date: | 1995-04-25 | Release date: | 1996-01-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis. J.Biol.Chem., 270, 1995
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1ARY
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![BU of 1ary by Molmil](/molmil-images/mine/1ary) | CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | Authors: | Fukuyama, K, Kunishima, N, Amada, F. | Deposit date: | 1995-04-25 | Release date: | 1996-01-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis. J.Biol.Chem., 270, 1995
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1ARP
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![BU of 1arp by Molmil](/molmil-images/mine/1arp) | |
3AM2
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![BU of 3am2 by Molmil](/molmil-images/mine/3am2) | Clostridium perfringens enterotoxin | Descriptor: | GLYCEROL, Heat-labile enterotoxin B chain, UNKNOWN ATOM OR ION | Authors: | Kitadokoro, K, Nishimura, K, Kamitani, S, Kimura, J, Fukui, A, Abe, H, Horiguchi, Y. | Deposit date: | 2010-08-12 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal Structure of Clostridium perfringens Enterotoxin Displays Features of {beta}-Pore-forming Toxins J.Biol.Chem., 286, 2011
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6AKG
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![BU of 6akg by Molmil](/molmil-images/mine/6akg) | |
6AKE
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![BU of 6ake by Molmil](/molmil-images/mine/6ake) | |
4ENY
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![BU of 4eny by Molmil](/molmil-images/mine/4eny) | Crystal Structure of Pim-1 kinase in complex with (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-methoxybenzylidene)thiazolidin-4-one | Descriptor: | (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-13 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor Acta Crystallogr.,Sect.F, 68, 2012
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3WDN
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![BU of 3wdn by Molmil](/molmil-images/mine/3wdn) | |
3A0I
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![BU of 3a0i by Molmil](/molmil-images/mine/3a0i) | Human glucokinase in complex with a synthetic activator | Descriptor: | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide, Glucokinase, SODIUM ION, ... | Authors: | Kamata, K, Mitsuya, M. | Deposit date: | 2009-03-19 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators Bioorg.Med.Chem.Lett., 19, 2009
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6PAZ
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![BU of 6paz by Molmil](/molmil-images/mine/6paz) | OXIDIZED MUTANT P80I PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-21 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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7WQV
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![BU of 7wqv by Molmil](/molmil-images/mine/7wqv) | Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ... | Authors: | Zha, J, Meng, L, Zhang, X, Li, D. | Deposit date: | 2022-01-26 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy. Plos Pathog., 19, 2023
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8PAZ
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![BU of 8paz by Molmil](/molmil-images/mine/8paz) | OXIDIZED NATIVE PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-24 | Release date: | 1997-08-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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1TCJ
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![BU of 1tcj by Molmil](/molmil-images/mine/1tcj) | |
1DTT
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![BU of 1dtt by Molmil](/molmil-images/mine/1dtt) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 (PETT130A94) | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA | Authors: | Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2000-01-13 | Release date: | 2000-04-02 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses. J.Biol.Chem., 275, 2000
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1DTQ
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![BU of 1dtq by Molmil](/molmil-images/mine/1dtq) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-1 (PETT131A94) | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA | Authors: | Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2000-01-13 | Release date: | 2000-03-20 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses. J.Biol.Chem., 275, 2000
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4ENX
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![BU of 4enx by Molmil](/molmil-images/mine/4enx) | Crystal Structure of Pim-1 Kinase in complex with inhibitor (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-nitrobenzylidene)thiazolidin-4-one | Descriptor: | (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-13 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor Acta Crystallogr.,Sect.F, 68, 2012
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