2G94

Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.

2G94 の概要

• エントリーDOI: 10.2210/pdb2g94/pdb
• 分子名称: Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE (3 entities in total)
• 機能のキーワード: beta secretase, alzheimer's disease, memapsin, bace, asp2, aspartic protease, drug design, protease inhibitor, 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: 4
• 化学式量合計: 175886.62

構造登録者

Hong, L.,Ghosh, A.,Tang, J. (登録日: 2006-03-05, 公開日: 2006-04-25, 最終更新日: 2023-08-30)

• 主引用文献: Ghosh, A.K.,Kumaragurubaran, N.,Hong, L.,Lei, H.,Hussain, K.A.,Liu, C.F.,Devasamudram, T.,Weerasena, V.,Turner, R.,Koelsch, G.,Bilcer, G.,Tang, J.; Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.; J.Am.Chem.Soc., 128:5310-5311, 2006; PubMed: 16620080; DOI: 10.1021/ja058636j

実験手法

X-RAY DIFFRACTION (1.86 Å)