3KMY

Structure of BACE bound to SCH12472

3KMY の概要

• エントリーDOI: 10.2210/pdb3kmy/pdb
• 関連するPDBエントリー: 3KMX 3KN0
• 分子名称: Beta-secretase 1, 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine (3 entities in total)
• 機能のキーワード: bace1, alzheimer's, alternative splicing, aspartyl protease, disulfide bond, endoplasmic reticulum, endosome, glycoprotein, golgi apparatus, hydrolase, membrane, polymorphism, protease, transmembrane, zymogen
• 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: 88512.68

構造登録者

Strickland, C.,Wang, Y. (登録日: 2009-11-11, 公開日: 2010-01-19, 最終更新日: 2023-09-06)

• 主引用文献: Wang, Y.S.,Strickland, C.,Voigt, J.H.,Kennedy, M.E.,Beyer, B.M.,Senior, M.M.,Smith, E.M.,Nechuta, T.L.,Madison, V.S.,Czarniecki, M.,McKittrick, B.A.,Stamford, A.W.,Parker, E.M.,Hunter, J.C.,Greenlee, W.J.,Wyss, D.F.; Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.; J.Med.Chem., 53:942-950, 2010; PubMed: 20043700; DOI: 10.1021/jm901472u

実験手法

X-RAY DIFFRACTION (1.9 Å)