4COD
| Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA | 分子名称: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Encinas, L, OKeefe, H, Neu, M, Convery, M.A, McDowell, W, Mendoza-Losana, A, Pages, L.B, Castro-Pichel, J, Evindar, G. | 登録日 | 2014-01-28 | 公開日 | 2014-02-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Encoded Library Technology as a Source of Hits for the Discovery and Lead Optimization of a Potent and Selective Class of Bactericidal Direct Inhibitors of Mycobacterium Tuberculosis Inha. J.Med.Chem., 57, 2014
|
|
7M7V
| |
5JFO
| |
7QI8
| CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR | 分子名称: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1 | 著者 | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | 登録日 | 2021-12-14 | 公開日 | 2022-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs. Nat Commun, 13, 2022
|
|
7QHN
| CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor | 分子名称: | 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1 | 著者 | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | 登録日 | 2021-12-13 | 公開日 | 2022-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs. Nat Commun, 13, 2022
|
|
7QH8
| CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE | 分子名称: | GLYCEROL, LYSINE, Lysine--tRNA ligase 1 | 著者 | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | 登録日 | 2021-12-10 | 公開日 | 2022-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs. Nat Commun, 13, 2022
|
|
5DU8
| Crystal structure of M. tuberculosis EchA6 bound to GSK572A | 分子名称: | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | 登録日 | 2015-09-18 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
|
|
5DTP
| |
5DU4
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK366A | 分子名称: | (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | 登録日 | 2015-09-18 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
|
|
5DTW
| |
5DUC
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A | 分子名称: | (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | 登録日 | 2015-09-18 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.704 Å) | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
|
|
5DUF
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK729A | 分子名称: | (5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, Probable enoyl-CoA hydratase echA6 | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | 登録日 | 2015-09-18 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
|
|
5DU6
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A. | 分子名称: | (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | 登録日 | 2015-09-18 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
|
|
5OIQ
| |
5OIN
| |
5OIC
| |
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
|
|
5OIM
| |
5OIT
| |
5OIP
| |
5OIR
| |
5OIF
| InhA (T2A mutant) complexed with 1-benzyl-3-methyl-1H-pyrazol-5-amine | 分子名称: | 5-methyl-2-(phenylmethyl)pyrazol-3-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Convery, M.A. | 登録日 | 2017-07-18 | 公開日 | 2018-02-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
|
|
5OIL
| |
5OIS
| |