1ENZ
 
 | | CRYSTAL STRUCTURE AND FUNCTION OF THE ISONIAZID TARGET OF MYCOBACTERIUM TUBERCULOSIS | | 分子名称: | ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Dessen, A, Quemard, A, Blanchard, J.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 1995-01-27 | | 公開日 | 1996-01-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure and function of the isoniazid target of Mycobacterium tuberculosis.
Science, 267, 1995
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6GGM
 | | HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe. | | 分子名称: | Beta-2-microglobulin, MHC class I antigen, Mtb44*P2-Phe peptide variant (ARG-PHE-PRO-ALA-LYS-ALA-PRO-LEU-LEU), ... | | 著者 | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | | 登録日 | 2018-05-03 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.734 Å) | | 主引用文献 | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
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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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4D0R
 | | Mtb InhA complex with Pyradizinone compound 1 | | 分子名称: | 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Lange, S. | | 登録日 | 2014-04-29 | | 公開日 | 2015-05-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis
To be Published
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5OIL
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3FNH
 | | Crystal structure of InhA bound to triclosan derivative | | 分子名称: | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Wang, F. | | 登録日 | 2008-12-24 | | 公開日 | 2009-01-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis.
Chemmedchem, 4, 2009
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5UGS
 | | Crystal structure of M. tuberculosis InhA inhibited by PT501 | | 分子名称: | 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | 登録日 | 2017-01-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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1BVR
 | | M.TB. ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH NAD+ AND C16-FATTY-ACYL-SUBSTRATE | | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE), TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER | | 著者 | Rozwarski, D.A, Vilcheze, C, Sugantino, M, Bittman, R, Jacobs, W, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 1998-09-17 | | 公開日 | 1999-09-17 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of the Mycobacterium tuberculosis enoyl-ACP reductase, InhA, in complex with NAD+ and a C16 fatty acyl substrate.
J.Biol.Chem., 274, 1999
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2B36
 | | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by 5-pentyl-2-phenoxyphenol | | 分子名称: | 5-PENTYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | | 登録日 | 2005-09-19 | | 公開日 | 2006-03-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis
ACS Chem.Biol., 1, 2006
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5OIN
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4R9R
 | | Mycobacterium tuberculosis InhA bound to NITD-564 | | 分子名称: | 6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Noble, C.G. | | 登録日 | 2014-09-07 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Direct inhibitors of InhA are active against Mycobacterium tuberculosis
Sci Transl Med, 7, 2015
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5JFO
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4R9S
 | | Mycobacterium tuberculosis InhA bound to NITD-916 | | 分子名称: | 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Noble, C.G. | | 登録日 | 2014-09-07 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Direct inhibitors of InhA are active against Mycobacterium tuberculosis
Sci Transl Med, 7, 2015
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