2F3F

Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor

2F3F の概要

• エントリーDOI: 10.2210/pdb2f3f/pdb
• 関連するPDBエントリー: 2F3E
• 分子名称: Beta-secretase 1, (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE (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: 135876.24

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 (2.3 Å)