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4COD
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BU of 4cod by Molmil
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
4QXM
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BU of 4qxm by Molmil
Crystal structure of the InhA:GSK_SB713 complex
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Gulten, G, Sacchettini, J.C.
登録日2014-07-21
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity.
Chemmedchem, 11, 2016
5JFO
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BU of 5jfo by Molmil
Structure of the M.tuberculosis enoyl-reductase InhA in complex with GSK625
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Gulten, G, Sacchettini, J.C.
登録日2016-04-19
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献Antitubercular drugs for an old target: GSK693 as a promising InhA direct inhibitor.
Ebiomedicine, 8, 2016

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件を2024-07-10に公開中

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