4UP3
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![BU of 4up3 by Molmil](/molmil-images/mine/4up3) | Crystal structure of the mutant C140S,C286Q thioredoxin reductase from Entamoeba histolytica | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Podust, L.M, Vieira, D.F. | Deposit date: | 2014-06-11 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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6OL9
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![BU of 6ol9 by Molmil](/molmil-images/mine/6ol9) | Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | Authors: | Vuckovic, Z, Christopoulos, A, Thal, D.M. | Deposit date: | 2019-04-16 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.541 Å) | Cite: | Crystal structure of the M5muscarinic acetylcholine receptor. Proc.Natl.Acad.Sci.USA, 116, 2019
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7V3D
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3ABL
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![BU of 3abl by Molmil](/molmil-images/mine/3abl) | Bovine heart cytochrome c oxidase at the fully oxidized state (15-s X-ray exposure dataset) | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S. | Deposit date: | 2009-12-16 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump Proc.Natl.Acad.Sci.USA, 106, 2009
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3ABM
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![BU of 3abm by Molmil](/molmil-images/mine/3abm) | Bovine heart cytochrome c oxidase at the fully oxidized state (200-s X-ray exposure dataset) | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S. | Deposit date: | 2009-12-16 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump Proc.Natl.Acad.Sci.USA, 106, 2009
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8W1V
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![BU of 8w1v by Molmil](/molmil-images/mine/8w1v) | The beta2 adrenergic receptor bound to a bitopic ligand | Descriptor: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Endolysin, Lauryl Maltose Neopentyl Glycol, ... | Authors: | Gaiser, B, Danielsen, M, Xu, X, Jorgensen, K, Fronik, P, Marcher-Rorsted, E, Wrobe, T, Hirata, K, Liu, X, Mathiesen, J, Pedersen, D. | Deposit date: | 2024-02-19 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bitopic Ligands Support the Presence of a Metastable Binding Site at the beta 2 Adrenergic Receptor. J.Med.Chem., 67, 2024
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4PI3
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6IU9
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![BU of 6iu9 by Molmil](/molmil-images/mine/6iu9) | Crystal structure of cytoplasmic metal binding domain with iron ions | Descriptor: | FE (II) ION, VIT1, ZINC ION | Authors: | Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O. | Deposit date: | 2018-11-27 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of plant vacuolar iron transporter VIT1. Nat Plants, 5, 2019
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6IVX
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![BU of 6ivx by Molmil](/molmil-images/mine/6ivx) | Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. | Descriptor: | (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | Authors: | Noguchi, M, Nomura, A, Doi, S, Adachi, T. | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. J. Med. Chem., 62, 2019
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6IU5
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![BU of 6iu5 by Molmil](/molmil-images/mine/6iu5) | Crystal structure of cytoplasmic metal binding domain with zinc ions | Descriptor: | CHLORIDE ION, VIT1, ZINC ION | Authors: | Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O. | Deposit date: | 2018-11-27 | Release date: | 2019-02-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of plant vacuolar iron transporter VIT1. Nat Plants, 5, 2019
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6IU4
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![BU of 6iu4 by Molmil](/molmil-images/mine/6iu4) | Crystal structure of iron transporter VIT1 with cobalt ion | Descriptor: | COBALT (II) ION, VIT1, ZINC ION | Authors: | Kato, T, Nishizawa, T, Yamashita, K, Taniguchi, R, Kumazaki, K, Ishitani, R, Nureki, O. | Deposit date: | 2018-11-27 | Release date: | 2019-02-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of plant vacuolar iron transporter VIT1. Nat Plants, 5, 2019
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2BTW
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![BU of 2btw by Molmil](/molmil-images/mine/2btw) | Crystal structure of Alr0975 | Descriptor: | ALR0975 PROTEIN, CALCIUM ION | Authors: | Vivares, D, Arnoux, P, Pignol, D. | Deposit date: | 2005-06-07 | Release date: | 2005-12-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Papain-Like Enzyme at Work: Native and Acyl- Enzyme Intermediate Structures in Phytochelatin Synthesis. Proc.Natl.Acad.Sci.USA, 102, 2005
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2BU3
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![BU of 2bu3 by Molmil](/molmil-images/mine/2bu3) | Acyl-enzyme intermediate between Alr0975 and glutathione at pH 3.4 | Descriptor: | ALR0975 PROTEIN, CALCIUM ION, CHLORIDE ION, ... | Authors: | Vivares, D, Arnoux, P, Pignol, D. | Deposit date: | 2005-06-08 | Release date: | 2005-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Papain-Like Enzyme at Work: Native and Acyl- Enzyme Intermediate Structures in Phytochelatin Synthesis. Proc.Natl.Acad.Sci.USA, 102, 2005
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7X5O
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![BU of 7x5o by Molmil](/molmil-images/mine/7x5o) | Crystal structure of E. faecium SHMT in complex with Me-THF and PLP-Gly | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Serine hydroxymethyltransferase | Authors: | Hasegawa, K, Hayashi, H. | Deposit date: | 2022-03-05 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors. Commun Biol, 5, 2022
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7X5N
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![BU of 7x5n by Molmil](/molmil-images/mine/7x5n) | Crystal structure of E. faecium SHMT in complex with (+)-SHIN-1 and PLP-Ser | Descriptor: | (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile, Serine hydroxymethyltransferase, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE | Authors: | Hasegawa, K, Hayashi, H. | Deposit date: | 2022-03-05 | Release date: | 2022-07-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors. Commun Biol, 5, 2022
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4XUI
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7W6Z
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7W70
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7W6X
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7W6Y
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![BU of 7w6y by Molmil](/molmil-images/mine/7w6y) | Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1 | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Anti sigma-E protein, RseA, ... | Authors: | Imaizumi, Y, Takanuki, K, Nogi, T. | Deposit date: | 2021-12-02 | Release date: | 2022-09-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP. Sci Adv, 8, 2022
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4A5L
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![BU of 4a5l by Molmil](/molmil-images/mine/4a5l) | Crystal structure of the thioredoxin reductase from Entamoeba histolytica | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | Authors: | Podust, L.M. | Deposit date: | 2011-10-25 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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4A65
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![BU of 4a65 by Molmil](/molmil-images/mine/4a65) | Crystal structure of the thioredoxin reductase from Entamoeba histolytica with AuCN | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Podust, L.M. | Deposit date: | 2011-10-31 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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2ZJV
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![BU of 2zjv by Molmil](/molmil-images/mine/2zjv) | Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Clothianidin | Descriptor: | 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine, Acetylcholine-binding protein | Authors: | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Morimoto, T, Matsuda, K. | Deposit date: | 2008-03-10 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin Invert.Neurosci., 8, 2008
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7W71
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2ZJU
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![BU of 2zju by Molmil](/molmil-images/mine/2zju) | Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Imidacloprid | Descriptor: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, Acetylcholine-binding protein | Authors: | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Morimoto, T, Matsuda, K. | Deposit date: | 2008-03-10 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin Invert.Neurosci., 8, 2008
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