1XS7

Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase).

1XS7 の概要

• エントリーDOI: 10.2210/pdb1xs7/pdb
• 分子名称: Beta-secretase 1, N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4 -ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE (2 entities in total)
• 機能のキーワード: beta secretase, memapsin2, bace, asp2, aspartic protease, acid protease, alzheimer's disease, drug design, 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: 44043.74

構造登録者

Ghosh, A.,Devasamudram, T.,Hong, L.,DeZutter, C.,Xu, X.,Weerasena, V.,Koelsch, G.,Bilcer, G.,Tang, J. (登録日: 2004-10-18, 公開日: 2004-12-21, 最終更新日: 2023-08-23)

• 主引用文献: Ghosh, A.K.,Devasamudram, T.,Hong, L.,Dezutter, C.,Xu, X.,Weerasena, V.,Koelsch, G.,Bilcer, G.,Tang, J.; Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase).; Bioorg.Med.Chem.Lett., 15:15-20, 2005; PubMed: 15582402; DOI: 10.1016/j.bmcl.2004.10.084

実験手法

X-RAY DIFFRACTION (2.8 Å)