3UFL

Discovery of Pyrrolidine-based b-Secretase Inhibitors: Lead Advancement through Conformational Design for Maintenance of Ligand Binding Efficiency

3UFL の概要

• エントリーDOI: 10.2210/pdb3ufl/pdb
• 分子名称: Beta-secretase 1, (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: aspartyl protease, 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: 1
• 化学式量合計: 44331.86

構造登録者

Allison, T.,Munshi, S.,Soisson, S.M. (登録日: 2011-11-01, 公開日: 2012-01-18)

• 主引用文献: Stachel, S.J.,Steele, T.G.,Petrocchi, A.,Haugabook, S.J.,McGaughey, G.,Katharine Holloway, M.,Allison, T.,Munshi, S.,Zuck, P.,Colussi, D.,Tugasheva, K.,Wolfe, A.,Graham, S.L.,Vacca, J.P.; Discovery of pyrrolidine-based beta-secretase inhibitors: Lead advancement through conformational design for maintenance of ligand binding efficiency.; Bioorg.Med.Chem.Lett., 22:240-244, 2012; PubMed: 22130130; DOI: 10.1016/j.bmcl.2011.11.024

実験手法

X-RAY DIFFRACTION (1.9 Å)