5UYU

Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12

5UYU の概要

• エントリーDOI: 10.2210/pdb5uyu/pdb
• 分子名称: Beta-secretase 1, IODIDE ION, (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, ... (5 entities in total)
• 機能のキーワード: aspartic protease, alzheimers disease, app, amyloid precursor protein, hydrolase
• 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: 46999.55

構造登録者

Whittington, D.A.,Long, A.M.,Sickmier, E.A. (登録日: 2017-02-24, 公開日: 2017-05-17, 最終更新日: 2023-10-04)

• 主引用文献: Low, J.D.,Bartberger, M.D.,Chen, K.,Cheng, Y.,Fielden, M.R.,Gore, V.,Hickman, D.,Liu, Q.,Allen Sickmier, E.,Vargas, H.M.,Werner, J.,White, R.D.,Whittington, D.A.,Wood, S.,Minatti, A.E.; Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D.; Medchemcomm, 8:1196-1206, 2017; PubMed: 30108829; DOI: 10.1039/c7md00106a

実験手法

X-RAY DIFFRACTION (1.9 Å)