3H0B

Discovery of aminoheterocycles as a novel beta-secretase inhibitor class

3H0B の概要

• エントリーDOI: 10.2210/pdb3h0b/pdb
• 分子名称: Beta-secretase 1, 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine (3 entities in total)
• 機能のキーワード: aspartyl protease, alternative splicing, disulfide bond, glycoprotein, hydrolase, membrane, polymorphism, protease, transmembrane, zymogen
• 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: 3
• 化学式量合計: 136875.80

構造登録者

Allison, T.J. (登録日: 2009-04-08, 公開日: 2009-07-07, 最終更新日: 2023-09-06)

• 主引用文献: Stachel, S.J.,Coburn, C.A.,Rush, D.,Jones, K.L.,Zhu, H.,Rajapakse, H.,Graham, S.L.,Simon, A.,Katharine Holloway, M.,Allison, T.J.,Munshi, S.K.,Espeseth, A.S.,Zuck, P.,Colussi, D.,Wolfe, A.,Pietrak, B.L.,Lai, M.T.,Vacca, J.P.; Discovery of aminoheterocycles as a novel beta-secretase inhibitor class: pH dependence on binding activity part 1.; Bioorg.Med.Chem.Lett., 19:2977-2980, 2009; PubMed: 19409780; DOI: 10.1016/j.bmcl.2009.04.033

実験手法

X-RAY DIFFRACTION (2.7 Å)