5OIS

InhA (T2A mutant) complexed with 4-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(2-chloro-4-fluorobenzyl)benzamide

5OIS の概要

• エントリーDOI: 10.2210/pdb5ois/pdb
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (4 entities in total)
• 機能のキーワード: inhibitor, complex, fragment based drug discovery, tuberculosis, 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: 118244.01

構造登録者

Convery, M.A. (登録日: 2017-07-19, 公開日: 2018-02-14, 最終更新日: 2018-04-18)

• 主引用文献: Prati, F.,Zuccotto, F.,Fletcher, D.,Convery, M.A.,Fernandez-Menendez, R.,Bates, R.,Encinas, L.,Zeng, J.,Chung, C.W.,De Dios Anton, P.,Mendoza-Losana, A.,Mackenzie, C.,Green, S.R.,Huggett, M.,Barros, D.,Wyatt, P.G.,Ray, P.C.; Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.; ChemMedChem, 13:672-677, 2018; PubMed: 29399991; DOI: 10.1002/cmdc.201700774

実験手法

X-RAY DIFFRACTION (2.24 Å)