2ZDZ

X-ray structure of Bace-1 in complex with compound 3.b.10

2ZDZ の概要

• エントリーDOI: 10.2210/pdb2zdz/pdb
• 関連するPDBエントリー: 2QU2 2QU3
• 分子名称: Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide (3 entities in total)
• 機能のキーワード: bace, aspartyl protease, acylguanidine inhibitor, alternative splicing, glycoprotein, hydrolase, membrane, 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: 1
• 化学式量合計: 46927.93

構造登録者

Chopra, R.,Olland, A. (登録日: 2007-12-04, 公開日: 2008-12-09, 最終更新日: 2011-07-13)

• 主引用文献: Cole, D.C.,Stock, J.R.,Chopra, R.,Cowling, R.,Ellingboe, J.W.,Fan, K.Y.,Harrison, B.L.,Hu, Y.,Jacobsen, S.,Jennings, L.D.,Jin, G.,Lohse, P.A.,Malamas, M.S.,Manas, E.S.,Moore, W.J.,O'Donnell, M.M.,Olland, A.M.,Robichaud, A.J.,Svenson, K.,Wu, J.,Wagner, E.,Bard, J.; Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.; Bioorg.Med.Chem.Lett., 18:1063-1066, 2008; PubMed: 18162398; DOI: 10.1016/j.bmcl.2007.12.010

実験手法

X-RAY DIFFRACTION (2 Å)