4BQR

Mtb InhA complex with Methyl-thiazole compound 11

4BQR の概要

• エントリーDOI: 10.2210/pdb4bqr/pdb
• 関連するPDBエントリー: 4BQP
• 分子名称: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide, ... (4 entities in total)
• 機能のキーワード: oxidoreductase, methyl-thiazole
• 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: 118458.56

構造登録者

Read, J.A.,Gingell, H.,Madhavapeddi, P.,Shirude, P.S. (登録日: 2013-05-31, 公開日: 2013-12-11, 最終更新日: 2024-05-08)

• 主引用文献: Shirude, P.S.,Madhavapeddi, P.,Naik, M.,Murugan, K.,Shinde, V.,Nandishaiah, R.,Bhat, J.,Kumar, A.,Hameed, S.,Holdgate, G.,Davies, G.,Mcmiken, H.,Hegde, N.,Ambady, A.,Venkatraman, J.,Panda, M.,Bandodkar, B.,Sambandamurthy, V.K.,Read, J.A.; Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis.; J.Med.Chem., 56:8533-, 2013; PubMed: 24107081; DOI: 10.1021/JM4012033

実験手法

X-RAY DIFFRACTION (2.05 Å)