6UVY

BACE-1 in complex with compound #18

6UVY の概要

• エントリーDOI: 10.2210/pdb6uvy/pdb
• 関連するPDBエントリー: 6UVV
• 分子名称: Beta-secretase 1, (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: protease, inhibitor, complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 99399.84

構造登録者

Hendle, J.,Timm, D.E. (登録日: 2019-11-04, 公開日: 2019-12-11, 最終更新日: 2023-10-11)

• 主引用文献: Winneroski, L.L.,Erickson, J.A.,Green, S.J.,Lopez, J.E.,Stout, S.L.,Porter, W.J.,Timm, D.E.,Audia, J.E.,Barberis, M.,Beck, J.P.,Boggs, L.N.,Borders, A.R.,Boyer, R.D.,Brier, R.A.,Hembre, E.J.,Hendle, J.,Garcia-Losada, P.,Minguez, J.M.,Mathes, B.M.,May, P.C.,Monk, S.A.,Rankovic, Z.,Shi, Y.,Watson, B.M.,Yang, Z.,Mergott, D.J.; Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.; Bioorg.Med.Chem., 28:115194-115194, 2020; PubMed: 31786008; DOI: 10.1016/j.bmc.2019.115194

実験手法

X-RAY DIFFRACTION (1.71 Å)