2F3E

Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor

2F3E の概要

• エントリーDOI: 10.2210/pdb2f3e/pdb
• 関連するPDBエントリー: 2F3F
• 分子名称: Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER (3 entities in total)
• 機能のキーワード: beta-secretase, memapsin2, alzheimer's disease, aspartic protease, macrocyclic peptidomimetic inhibitor, hydrolase
• 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: 3
• 化学式量合計: 136353.79

構造登録者

Rondeau, J.-M. (登録日: 2005-11-21, 公開日: 2006-09-05, 最終更新日: 2017-10-18)

• 主引用文献: Hanessian, S.,Yang, G.,Rondeau, J.-M.,Neumann, U.,Betschart, C.,Tintelnot-Blomley, M.; Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).; J.Med.Chem., 49:4544-4567, 2006; PubMed: 16854060; DOI: 10.1021/jm060154a

実験手法

X-RAY DIFFRACTION (2.11 Å)