8OTN

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

8OTN の概要

• エントリーDOI: 10.2210/pdb8otn/pdb
• 関連するPDBエントリー: 8OTM
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, ... (4 entities in total)
• 機能のキーワード: enoyl-acp-reductase type ii fatty acid synthase mycolic acids tuberculosis therapeutic target, oxidoreductase
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 119823.78

構造登録者

Chebaiki, M.,Maveyraud, L.,Tamhaev, R.,Lherbet, C.,Mourey, L. (登録日: 2023-04-21, 公開日: 2023-08-16)

• 主引用文献: Chebaiki, M.,Delfourne, E.,Tamhaev, R.,Danoun, S.,Rodriguez, F.,Hoffmann, P.,Grosjean, E.,Goncalves, F.,Azema-Despeyroux, J.,Pal, A.,Kordulakova, J.,Preuilh, N.,Britton, S.,Constant, P.,Marrakchi, H.,Maveyraud, L.,Mourey, L.,Lherbet, C.; Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.; Eur.J.Med.Chem., 259:115646-115646, 2023; PubMed: 37482022; DOI: 10.1016/j.ejmech.2023.115646

実験手法

X-RAY DIFFRACTION (1.962 Å)