6C2I

Structure of Bace-1 (Beta-Secretase) in complex with : N-(3-((1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide

6C2I の概要

• エントリーDOI: 10.2210/pdb6c2i/pdb
• 分子名称: Beta-secretase 1, IODIDE ION, GLYCEROL, ... (6 entities in total)
• 機能のキーワード: bace, beta-secretase, 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: 46854.77

構造登録者

Sickmier, E.A. (登録日: 2018-01-08, 公開日: 2018-02-21, 最終更新日: 2023-10-04)

• 主引用文献: Low, J.D.,Bartberger, M.D.,Cheng, Y.,Whittington, D.,Xue, Q.,Wood, S.,Allen, J.R.,Minatti, A.E.; Diastereoselective synthesis of fused cyclopropyl-3-amino-2,4-oxazine beta-amyloid cleaving enzyme (BACE) inhibitors and their biological evaluation.; Bioorg. Med. Chem. Lett., 28:1111-1115, 2018; PubMed: 29426770; DOI: 10.1016/j.bmcl.2018.01.056

実験手法

X-RAY DIFFRACTION (1.95 Å)