6AFB
| DJ-1 C106S incubated with isatin | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ... | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFL
| DJ-1 with compound 15 | 分子名称: | 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFD
| DJ-1 with compound 6 | 分子名称: | 7-methyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFC
| DJ-1 with compound 4 | 分子名称: | 5-fluoranyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AF7
| DJ-1 C106S unbound | 分子名称: | CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFI
| DJ-1 with compound 11 | 分子名称: | 1-ethylindole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AF5
| DJ-1 after backsoaking | 分子名称: | CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFG
| DJ-1 with compound 9 | 分子名称: | 1-methylindole-2,3-dione, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFH
| DJ-1 with compound 10 | 分子名称: | 1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFA
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6AFE
| DJ-1 with compound 7 | 分子名称: | 7-(trifluoromethyl)-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AF9
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6AFF
| DJ-1 with compound 8 | 分子名称: | CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFJ
| DJ-1 with compound 13 | 分子名称: | CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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7C7O
| Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative | 分子名称: | 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | 著者 | Kamitani, M, Mima, M, Takeuchi, T, Ushiyama, F. | 登録日 | 2020-05-26 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors. Bioorg.Med.Chem., 28, 2020
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7C7N
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3COX
| CRYSTAL STRUCTURE OF CHOLESTEROL OXIDASE COMPLEXED WITH A STEROID SUBSTRATE. IMPLICATIONS FOR FAD DEPENDENT ALCOHOL OXIDASES | 分子名称: | CHOLESTEROL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Vrielink, A, Li, J, Brick, P, Blow, D.M. | 登録日 | 1993-06-14 | 公開日 | 1993-10-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of cholesterol oxidase complexed with a steroid substrate: implications for flavin adenine dinucleotide dependent alcohol oxidases. Biochemistry, 32, 1993
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6A3J
| Levoglucosan dehydrogenase, complex with NADH and L-sorbose | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative dehydrogenase, ... | 著者 | Sugiura, M, Yamada, C, Arakawa, T, Fushinobu, S. | 登録日 | 2018-06-15 | 公開日 | 2018-09-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification, functional characterization, and crystal structure determination of bacterial levoglucosan dehydrogenase. J. Biol. Chem., 293, 2018
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6A3I
| Levoglucosan dehydrogenase, complex with NADH and levoglucosan | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Levoglucosan, Putative dehydrogenase | 著者 | Sugiura, M, Yamada, C, Arakawa, T, Fushinobu, S. | 登録日 | 2018-06-15 | 公開日 | 2018-09-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Identification, functional characterization, and crystal structure determination of bacterial levoglucosan dehydrogenase. J. Biol. Chem., 293, 2018
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6A3F
| Levoglucosan dehydrogenase, apo form | 分子名称: | Putative dehydrogenase, SULFATE ION | 著者 | Sugiura, M, Yamada, C, Arakawa, T, Fushinobu, S. | 登録日 | 2018-06-15 | 公開日 | 2018-09-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification, functional characterization, and crystal structure determination of bacterial levoglucosan dehydrogenase. J. Biol. Chem., 293, 2018
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6A3G
| Levoglucosan dehydrogenase, complex with NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Putative dehydrogenase | 著者 | Sugiura, M, Yamada, C, Arakawa, T, Fushinobu, S. | 登録日 | 2018-06-15 | 公開日 | 2018-09-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification, functional characterization, and crystal structure determination of bacterial levoglucosan dehydrogenase. J. Biol. Chem., 293, 2018
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3SWG
| AQUIFEX AEOLICUS MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys124 | 分子名称: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2011-07-13 | 公開日 | 2012-03-14 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA). J.Biol.Chem., 287, 2012
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2ZA0
| Crystal structure of mouse glyoxalase I complexed with methyl-gerfelin | 分子名称: | Glyoxalase I, ZINC ION, methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate | 著者 | Okumura, H, Kawatani, M, Osada, H. | 登録日 | 2007-09-26 | 公開日 | 2008-08-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The identification of an osteoclastogenesis inhibitor through the inhibition of glyoxalase I Proc.Natl.Acad.Sci.Usa, 105, 2008
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