4BJK

CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1- (pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4- carboxamide

4BJK の概要

• エントリーDOI: 10.2210/pdb4bjk/pdb
• 分子名称: LANOSTEROL 14-ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide, ... (4 entities in total)
• 機能のキーワード: oxidoreductase, ergosterol biosynthesis
• 由来する生物種: TRYPANOSOMA BRUCEI
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 216458.30

構造登録者

Podust, L.M. (登録日: 2013-04-18, 公開日: 2013-09-04, 最終更新日: 2023-12-20)

• 主引用文献: Choi, J.Y.,Calvet, C.M.,Gunatilleke, S.S.,Ruiz, C.,Cameron, M.D.,Mckerrow, J.H.,Podust, L.M.,Roush, W.R.; Rational Development of 4-Aminopyridyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 as Anti-Chagas Agents.; J.Med.Chem., 56:7651-, 2013; PubMed: 24079662; DOI: 10.1021/JM401067S

実験手法

X-RAY DIFFRACTION (2.67 Å)