4DJX

Structure of BACE Bound to 5-(3-(5-chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one

4DJX の概要

• エントリーDOI: 10.2210/pdb4djx/pdb
• 関連するPDBエントリー: 4DJU 4DJV 4DJW 4DJY
• 分子名称: Beta-secretase 1, (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one, L(+)-TARTARIC ACID, ... (4 entities in total)
• 機能のキーワード: bace1, alzheimers, 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: 93481.64

構造登録者

Strickland, C.,Cumming, J. (登録日: 2012-02-02, 公開日: 2012-03-21, 最終更新日: 2012-04-04)

• 主引用文献: Cumming, J.N.,Smith, E.M.,Wang, L.,Misiaszek, J.,Durkin, J.,Pan, J.,Iserloh, U.,Wu, Y.,Zhu, Z.,Strickland, C.,Voigt, J.,Chen, X.,Kennedy, M.E.,Kuvelkar, R.,Hyde, L.A.,Cox, K.,Favreau, L.,Czarniecki, M.F.,Greenlee, W.J.,McKittrick, B.A.,Parker, E.M.,Stamford, A.W.; Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.; Bioorg.Med.Chem.Lett., 22:2444-2449, 2012; PubMed: 22390835; DOI: 10.1016/j.bmcl.2012.02.013

実験手法

X-RAY DIFFRACTION (1.5 Å)