4FRK

Crystal structure of BACE1 in complex with aminooxazoline xanthene 11a

4FRK の概要

• エントリーDOI: 10.2210/pdb4frk/pdb
• 関連するPDBエントリー: 4FRI 4FRJ
• 分子名称: Beta-secretase 1, IODIDE ION, (4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, ... (5 entities in total)
• 機能のキーワード: membrane protein, alzheimer's disease, aspartic protease, hydrolase-inhibitor complex, 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: 46916.70

構造登録者

Whittington, D.A.,Long, A.M. (登録日: 2012-06-26, 公開日: 2012-09-12, 最終更新日: 2012-12-12)

• 主引用文献: Huang, H.,La, D.S.,Cheng, A.C.,Whittington, D.A.,Patel, V.F.,Chen, K.,Dineen, T.A.,Epstein, O.,Graceffa, R.,Hickman, D.,Kiang, Y.H.,Louie, S.,Luo, Y.,Wahl, R.C.,Wen, P.H.,Wood, S.,Fremeau, R.T.; Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease.; J.Med.Chem., 55:9156-9169, 2012; PubMed: 22928914; DOI: 10.1021/jm300598e

実験手法

X-RAY DIFFRACTION (2.1 Å)