6PZ4

co-crystal structure of BACE with inhibitor AM-6494

6PZ4 の概要

• エントリーDOI: 10.2210/pdb6pz4/pdb
• 分子名称: Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: bace, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 46916.87

構造登録者

Huang, X. (登録日: 2019-07-31, 公開日: 2019-10-23, 最終更新日: 2020-03-25)

• 主引用文献: Pettus, L.H.,Bourbeau, M.P.,Bradley, J.,Bartberger, M.D.,Chen, K.,Hickman, D.,Johnson, M.,Liu, Q.,Manning, J.R.,Nanez, A.,Siegmund, A.C.,Wen, P.H.,Whittington, D.A.,Allen, J.R.,Wood, S.; Discovery of AM-6494: A Potent and Orally Efficacious beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2.; J.Med.Chem., 63:2263-2281, 2020; PubMed: 31589043; DOI: 10.1021/acs.jmedchem.9b01034

実験手法

X-RAY DIFFRACTION (1.85 Å)