5I3X

Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6

5I3X の概要

• エントリーDOI: 10.2210/pdb5i3x/pdb
• 関連するPDBエントリー: 5I3V 5I3W 5I3Y
• 分子名称: Beta-secretase 1, N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: aspartic protease, alzheimer's disease, app, amyloid precursor protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: P56817
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 46505.27

構造登録者

Whittington, D.A.,Long, A.M. (登録日: 2016-02-11, 公開日: 2016-03-30, 最終更新日: 2023-09-27)

• 主引用文献: Jordan, J.B.,Whittington, D.A.,Bartberger, M.D.,Sickmier, E.A.,Chen, K.,Cheng, Y.,Judd, T.; Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.; J.Med.Chem., 59:3732-3749, 2016; PubMed: 26978477; DOI: 10.1021/acs.jmedchem.5b01917

実験手法

X-RAY DIFFRACTION (1.85 Å)