6BFX

BACE crystal structure with hydroxy pyrrolidine inhibitor

6BFX の概要

• エントリーDOI: 10.2210/pdb6bfx/pdb
• 分子名称: Beta-secretase 1, N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: bace1, beta-secretase, inhibitor, protease, hydrolase, 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: 2
• 化学式量合計: 98953.40

構造登録者

Timm, D.E. (登録日: 2017-10-27, 公開日: 2017-11-15, 最終更新日: 2017-12-27)

• 主引用文献: Bueno, A.B.,Agejas, J.,Broughton, H.,Dally, R.,Durham, T.B.,Espinosa, J.F.,Gonzalez, R.,Hahn, P.J.,Marcos, A.,Rodriguez, R.,Sanz, G.,Soriano, J.F.,Timm, D.,Vidal, P.,Yang, H.C.,McCarthy, J.R.; Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.; J. Med. Chem., 60:9807-9820, 2017; PubMed: 29088532; DOI: 10.1021/acs.jmedchem.7b01304

実験手法

X-RAY DIFFRACTION (1.99 Å)