4X7I

Crystal Structure of BACE with amino thiazine inhibitor LY2886721

4X7I の概要

• エントリーDOI: 10.2210/pdb4x7i/pdb
• 分子名称: Beta-secretase 1, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: bace, beta-secretase, inhibitor, complex, 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: 2
• 化学式量合計: 98905.24

構造登録者

Timm, D.E. (登録日: 2014-12-09, 公開日: 2014-12-24, 最終更新日: 2017-11-22)

• 主引用文献: May, P.C.,Willis, B.A.,Lowe, S.L.,Dean, R.A.,Monk, S.A.,Cocke, P.J.,Audia, J.E.,Boggs, L.N.,Borders, A.R.,Brier, R.A.,Calligaro, D.O.,Day, T.A.,Ereshefsky, L.,Erickson, J.A.,Gevorkyan, H.,Gonzales, C.R.,James, D.E.,Jhee, S.S.,Komjathy, S.F.,Li, L.,Lindstrom, T.D.,Mathes, B.M.,Martenyi, F.,Sheehan, S.M.,Stout, S.L.,Timm, D.E.,Vaught, G.M.,Watson, B.M.,Winneroski, L.L.,Yang, Z.,Mergott, D.J.; The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.; J.Neurosci., 35:1199-1210, 2015; PubMed: 25609634; DOI: 10.1523/JNEUROSCI.4129-14.2015

実験手法

X-RAY DIFFRACTION (1.77 Å)