5IBI

Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a

5IBI の概要

• エントリーDOI: 10.2210/pdb5ibi/pdb
• 分子名称: Cytochrome P450 121 CYP121, SULFATE ION, 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, ... (5 entities in total)
• 機能のキーワード: mycobacterium tuberculosis cyp121 fragment based inhibitor screening, oxidoreductase
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 44583.94

構造登録者

Levy, C. (登録日: 2016-02-22, 公開日: 2016-04-06, 最終更新日: 2016-04-27)

• 主引用文献: Kavanagh, M.E.,Coyne, A.G.,McLean, K.J.,James, G.G.,Levy, C.W.,Marino, L.B.,de Carvalho, L.P.,Chan, D.S.,Hudson, S.A.,Surade, S.,Leys, D.,Munro, A.W.,Abell, C.; Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.; J.Med.Chem., 59:3272-3302, 2016; PubMed: 27002486; DOI: 10.1021/acs.jmedchem.6b00007

実験手法

X-RAY DIFFRACTION (2.2 Å)