2P4J

Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3

2P4J の概要

• エントリーDOI: 10.2210/pdb2p4j/pdb
• 分子名称: Beta-secretase 1, N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE (3 entities in total)
• 機能のキーワード: beta-secretase, memapsin, bace, asp, aspartic protease, acid protease, alzheimer's disease, drug design, structure based 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: 4
• 化学式量合計: 176058.88

構造登録者

Hong, L.,Ghosh, A.K.,Tang, J. (登録日: 2007-03-12, 公開日: 2007-07-24, 最終更新日: 2023-08-30)

• 主引用文献: Ghosh, A.K.,Kumaragurubaran, N.,Hong, L.,Kulkarni, S.S.,Xu, X.,Chang, W.,Weerasena, V.,Turner, R.,Koelsch, G.,Bilcer, G.,Tang, J.; Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands.; J.Med.Chem., 50:2399-2407, 2007; PubMed: 17432843; DOI: 10.1021/jm061338s

実験手法

X-RAY DIFFRACTION (2.5 Å)