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8OTM
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BU of 8otm by Molmil
structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ...
著者Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L.
登録日2023-04-21
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
8OTN
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BU of 8otn by Molmil
structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one
分子名称: 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L.
登録日2023-04-21
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
8OTL
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BU of 8otl by Molmil
structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol
分子名称: 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ...
著者Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L.
登録日2023-04-21
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.
Bioorg.Chem., 143, 2023

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件を2024-08-07に公開中

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