4C27

Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2-fluoro-4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)benzamide

4C27 の概要

• エントリーDOI: 10.2210/pdb4c27/pdb
• 関連するPDBエントリー: 4C28
• 分子名称: STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide, ... (6 entities in total)
• 機能のキーワード: oxidoreductase, sterol biosynthesis, chagas disease
• 由来する生物種: TRYPANOSOMA CRUZI
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 109317.38

構造登録者

Vieira, D.F.,Calvet, C.M.,Choi, J.Y.,Cameron, M.D.,Gut, J.,Kellar, D.,Siqueira-Neto, J.L.,McKerrow, J.H.,Roush, W.R.,Podust, L.M. (登録日: 2013-08-16, 公開日: 2014-09-03, 最終更新日: 2023-12-20)

• 主引用文献: Vieira, D.F.,Choi, J.Y.,Calvet, C.M.,Siqueira-Neto, J.L.,Johnston, J.B.,Kellar, D.,Gut, J.,Cameron, M.D.,Mckerrow, J.H.,Roush, W.R.,Podust, L.M.; Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51; J.Med.Chem., 57:10162-, 2014; PubMed: 25393646; DOI: 10.1021/JM501568B

実験手法

X-RAY DIFFRACTION (1.95 Å)