6JXJ
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![BU of 6jxj by Molmil](/molmil-images/mine/6jxj) | Rb+-bound E2-AlF state of the gastric proton pump (Tyr799Trp) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Abe, K, Irie, K. | Deposit date: | 2019-04-23 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A single K + -binding site in the crystal structure of the gastric proton pump. Elife, 8, 2019
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6KAV
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![BU of 6kav by Molmil](/molmil-images/mine/6kav) | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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3A6J
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![BU of 3a6j by Molmil](/molmil-images/mine/3a6j) | E122Q mutant creatininase complexed with creatine | Descriptor: | Creatinine amidohydrolase, N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE, SULFATE ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-09-02 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6D
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![BU of 3a6d by Molmil](/molmil-images/mine/3a6d) | Creatininase complexed with 1-methylguanidine | Descriptor: | 1-METHYLGUANIDINE, Creatinine amidohydrolase, MANGANESE (II) ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-08-31 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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1JDR
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![BU of 1jdr by Molmil](/molmil-images/mine/1jdr) | Crystal Structure of a Proximal Domain Potassium Binding Variant of Cytochrome c Peroxidase | Descriptor: | Cytochrome c Peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bonagura, C.A, Sundaramoorthy, M, Bhaskar, B, Poulos, T.L. | Deposit date: | 2001-06-14 | Release date: | 2001-06-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The effects of an engineered cation site on the structure, activity, and EPR properties of cytochrome c peroxidase. Biochemistry, 38, 1999
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1JV6
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![BU of 1jv6 by Molmil](/molmil-images/mine/1jv6) | BACTERIORHODOPSIN D85S/F219L DOUBLE MUTANT AT 2.00 ANGSTROM RESOLUTION | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | Authors: | Rouhani, S, Cartailler, J.-P, Facciotti, M.T, Walian, P, Needleman, R, Lanyi, J.K, Glaeser, R.M, Luecke, H. | Deposit date: | 2001-08-28 | Release date: | 2001-10-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the D85S mutant of bacteriorhodopsin: model of an O-like photocycle intermediate. J.Mol.Biol., 313, 2001
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1JV7
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![BU of 1jv7 by Molmil](/molmil-images/mine/1jv7) | BACTERIORHODOPSIN O-LIKE INTERMEDIATE STATE OF THE D85S MUTANT AT 2.25 ANGSTROM RESOLUTION | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | Authors: | Rouhani, S, Cartailler, J.-P, Facciotti, M.T, Walian, P, Needleman, R, Lanyi, J.K, Glaeser, R.M, Luecke, H. | Deposit date: | 2001-08-28 | Release date: | 2001-10-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the D85S mutant of bacteriorhodopsin: model of an O-like photocycle intermediate. J.Mol.Biol., 313, 2001
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7EZC
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![BU of 7ezc by Molmil](/molmil-images/mine/7ezc) | Adenosine A2a receptor mutant-I92N | Descriptor: | 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Adenosine receptor A2a,Soluble cytochrome b562 | Authors: | Cui, M, Zhou, Q, Yao, D, Zhao, S, Song, G. | Deposit date: | 2021-06-01 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Crystal structure of a constitutive active mutant of adenosine A 2A receptor. Iucrj, 9, 2022
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1U8T
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![BU of 1u8t by Molmil](/molmil-images/mine/1u8t) | Crystal structure of CheY D13K Y106W alone and in complex with a FliM peptide | Descriptor: | Chemotaxis protein cheY, Flagellar motor switch protein fliM, SULFATE ION | Authors: | Dyer, C.M, Quillin, M.L, Campos, A, Lu, J, McEvoy, M.M, Hausrath, A.C, Westbrook, E.M, Matsumura, P, Matthews, B.W, Dahlquist, F.W. | Deposit date: | 2004-08-06 | Release date: | 2004-10-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the Constitutively Active Double Mutant CheY(D13K Y106W) Alone and in Complex with a FliM Peptide J.Mol.Biol., 342, 2004
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1TXX
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1M8H
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![BU of 1m8h by Molmil](/molmil-images/mine/1m8h) | inducible nitric oxide synthase with 6-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M9K
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![BU of 1m9k by Molmil](/molmil-images/mine/1m9k) | Human Endothelial Nitric Oxide Synthase with 7-Nitroindazole Bound | Descriptor: | 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M9A
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![BU of 1m9a by Molmil](/molmil-images/mine/1m9a) | Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with S-hexylglutathione | Descriptor: | Glutathione S-Transferase 26 kDa, S-HEXYLGLUTATHIONE | Authors: | Cardoso, R.M.F, Daniels, D.S, Bruns, C.M, Tainer, J.A. | Deposit date: | 2002-07-28 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of the electrophile
binding site and substrate binding
mode of the 26-kDa glutathione
S-transferase from Schistosoma
japonicum PROTEINS: STRUCT.,FUNCT.,GENET., 51, 2003
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1M9Q
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![BU of 1m9q by Molmil](/molmil-images/mine/1m9q) | human endothelial nitric oxide synthase with 5-nitroindazole bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M8D
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![BU of 1m8d by Molmil](/molmil-images/mine/1m8d) | inducible nitric oxide synthase with Chlorzoxazone bound | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORZOXAZONE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M9T
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![BU of 1m9t by Molmil](/molmil-images/mine/1m9t) | Inducible Nitric Oxide Synthase with 3-Bromo-7-Nitroindazole bound | Descriptor: | 1,2-ETHANEDIOL, 3-BROMO-7-NITROINDAZOLE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-09-05 | Release date: | 2002-09-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1W6Y
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![BU of 1w6y by Molmil](/molmil-images/mine/1w6y) | crystal structure of a mutant W92A in ketosteroid isomerase (KSI) from Pseudomonas putida biotype B | Descriptor: | BETA-MERCAPTOETHANOL, EQUILENIN, STEROID DELTA-ISOMERASE | Authors: | Yun, Y.S, Nam, G.H, Kim, Y.-G, Oh, B.-H, Choi, K.Y. | Deposit date: | 2004-08-25 | Release date: | 2005-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small Exterior Hydrophobic Cluster Contributes to Conformational Stability and Steroid Binding in Ketosteroid Isomerase from Pseudomonas Putida Biotype B FEBS J., 272, 2005
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1M9J
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![BU of 1m9j by Molmil](/molmil-images/mine/1m9j) | human endothelial nitric oxide synthase with chlorzoxazone bound | Descriptor: | CHLORZOXAZONE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1QOV
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![BU of 1qov by Molmil](/molmil-images/mine/1qov) | PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ALA M260 REPLACED WITH TRP (CHAIN M, A260W) | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | McAuley, K.E, Fyfe, P.K, Ridge, J.P, Isaacs, N.W, Cogdell, R.J, Jones, M.R. | Deposit date: | 1999-11-17 | Release date: | 1999-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Details of an Interaction between Cardiolipin and an Integral Membrane Protein Proc.Natl.Acad.Sci.USA, 96, 1999
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1R2G
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![BU of 1r2g by Molmil](/molmil-images/mine/1r2g) | Human Bcl-XL containing a Phe to Trp mutation at position 97 | Descriptor: | Apoptosis regulator Bcl-X | Authors: | O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M. | Deposit date: | 2003-09-26 | Release date: | 2004-02-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Bcl-XL mutations suppress cellular sensitivity to antimycin A. J.Biol.Chem., 279, 2004
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1M8E
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![BU of 1m8e by Molmil](/molmil-images/mine/1m8e) | inducible nitric oxide synthase with 7-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M9M
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![BU of 1m9m by Molmil](/molmil-images/mine/1m9m) | human endothelial nitric oxide synthase with 6-nitroindazole bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M8I
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![BU of 1m8i by Molmil](/molmil-images/mine/1m8i) | inducible nitric oxide synthase with 5-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1WRG
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![BU of 1wrg by Molmil](/molmil-images/mine/1wrg) | Light-Harvesting Complex 1 Beta Subunit from Wild-Type Rhodospirillum rubrum | Descriptor: | Light-harvesting protein B-880, beta chain | Authors: | Wang, Z.-Y, Gokan, K, Kobayashi, M, Nozawa, T. | Deposit date: | 2004-10-15 | Release date: | 2005-03-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structures of the Core Light-harvesting alpha and beta Polypeptides from Rhodospirillum rubrum: Implications for the Pigment-Protein and Protein-Protein Interactions J.Mol.Biol., 347, 2005
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7EBM
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![BU of 7ebm by Molmil](/molmil-images/mine/7ebm) | W363A mutant of Chitin-specific solute binding protein from Vibrio harveyi in complex with chitobiose. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Kitaoku, Y, Ubonbal, P, Tran, L.T, Robinson, R.C, Suginta, W. | Deposit date: | 2021-03-10 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A structural model for (GlcNAc) 2 translocation via a periplasmic chitooligosaccharide-binding protein from marine Vibrio bacteria. J.Biol.Chem., 297, 2021
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