7OGY
| C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-benzyl-N5-cyclopropyl-N3-methyl-1H-pyrazole-3,5-dicarboxamide | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ... | 著者 | Chung, C. | 登録日 | 2021-05-07 | 公開日 | 2021-07-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | 主引用文献 | Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors. J.Med.Chem., 64, 2021
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6DML
| A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4 | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4 | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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5I5S
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5I5Y
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5I60
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5HNE
| X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR | 分子名称: | 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ... | 著者 | Somers, D.O. | 登録日 | 2016-01-18 | 公開日 | 2016-05-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5I5V
| X-RAY CRYSTAL STRUCTURE AT 1.94A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIENOPYRIMIDINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | 分子名称: | 1,2-ETHANEDIOL, 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, Branched-chain-amino-acid aminotransferase, ... | 著者 | Somers, D.O. | 登録日 | 2016-02-15 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5I5U
| X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | 分子名称: | 1,2-ETHANEDIOL, 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide, Branched-chain-amino-acid aminotransferase, ... | 著者 | Somers, D.O. | 登録日 | 2016-02-15 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.404 Å) | 主引用文献 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5I5X
| X-RAY CRYSTAL STRUCTURE AT 1.65A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIAZOLE COMPOUND AND PMP COFACTOR. | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, ... | 著者 | Somers, D.O. | 登録日 | 2016-02-15 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5I5W
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5I5T
| X-RAY CRYSTAL STRUCTURE AT 2.31A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDROQUINOLINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | 分子名称: | (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide, 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, ... | 著者 | Somers, D.O. | 登録日 | 2016-02-15 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5NAB
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5NAH
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5NJN
| Roll out the beta-barrel: structure and mechanism of Pac13, a unique nucleoside dehydratase | 分子名称: | Putative cupin_2 domain-containing isomerase | 著者 | Michailidou, F, Bent, A.F, Naismith, J.H, Goss, R.J.M. | 登録日 | 2017-03-29 | 公開日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins. Angew. Chem. Int. Ed. Engl., 56, 2017
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5NAE
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5NAG
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5NA5
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5NJO
| Roll out the beta-barrel: structure and mechanism of Pac13, a unique nucleoside dehydratase | 分子名称: | Putative cupin_2 domain-containing isomerase | 著者 | Michailidou, F, Bent, A.F, Naismith, J.H, Goss, R.J.M. | 登録日 | 2017-03-29 | 公開日 | 2018-03-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins. Angew. Chem. Int. Ed. Engl., 56, 2017
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5OIN
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5OIP
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5NAK
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with the enzyme substrate L-kynurenine | 分子名称: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Taylor, M, Mowat, C.G, Rowland, P. | 登録日 | 2017-02-28 | 公開日 | 2017-06-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017
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5OIQ
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5OIC
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5OIO
| InhA (T2A mutant) complexed with 5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-ethyl-1,3,4-thiadiazol-2-amine | 分子名称: | 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Convery, M.A. | 登録日 | 2017-07-19 | 公開日 | 2018-02-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
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5OIM
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