4UVR

Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51

4UVR の概要

• エントリーDOI: 10.2210/pdb4uvr/pdb
• 分子名称: STEROL 14-DEMETHYLASE, CYP51, PROTOPORPHYRIN IX CONTAINING FE, Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, ... (5 entities in total)
• 機能のキーワード: oxidoreductase, cyp51, sterol 14-demethylase, sterol biosynthesis, chagas disease
• 由来する生物種: TRYPANOSOMA CRUZI
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 54898.67

構造登録者

Vieira, D.F.,Choi, J.Y.,Calvet, C.M.,Gut, J.,Kellar, D.,Siqueira-Neto, J.L.,Johnston, J.B.,McKerrow, J.H.,Roush, W.R.,Podust, L.M. (登録日: 2014-08-08, 公開日: 2014-11-26, 最終更新日: 2024-01-10)

• 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 (2.48 Å)