2B8L

Crystal structure of human beta secretase complexed with inhibitor

2B8L の概要

• エントリーDOI: 10.2210/pdb2b8l/pdb
• 分子名称: Beta-secretase 1, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE (3 entities in total)
• 機能のキーワード: aspartyl protease, bace, hydrolase
• 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: 45701.47

構造登録者

Munshi, S.K.,Kuo, L. (登録日: 2005-10-07, 公開日: 2005-10-18, 最終更新日: 2024-10-30)

主引用文献

Stachel, S.J.,Coburn, C.A.,Steele, T.G.,Crouthamel, M.C.,Pietrak, B.L.,Lai, M.T.,Holloway, M.K.,Munshi, S.K.,Graham, S.L.,Vacca, J.P.
Conformationally biased P3 amide replacements of beta-secretase inhibitors
Bioorg.Med.Chem.Lett., 16:641-644, 2006

PubMed Abstract: We have synthesized and evaluated a series of conformationally biased P3 amide replacements based on an isophthalamide lead structure. The studies resulted in the identification of the beta-secretase inhibitor 7m which has an in vitro IC(50)=35 nM. The synthesis and biological activities of these compounds are described.

PubMed: 16263281
DOI: 10.1016/j.bmcl.2005.10.032

実験手法

X-RAY DIFFRACTION (1.7 Å)