3DM6

Beta-secretase 1 complexed with statine-based inhibitor

3DM6 の概要

• エントリーDOI: 10.2210/pdb3dm6/pdb
• 分子名称: Beta-secretase 1, 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid, ISOPROPYL ALCOHOL, ... (4 entities in total)
• 機能のキーワード: bace, beta-secretase, statine, inhibitor, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, protease, 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: 3
• 化学式量合計: 139014.22

構造登録者

Lindberg, J.,Borkakoti, N.,Nystrom, S. (登録日: 2008-06-30, 公開日: 2008-12-16, 最終更新日: 2011-07-13)

• 主引用文献: Back, M.,Nyhlen, J.,Kvarnstrom, I.,Appelgren, S.,Borkakoti, N.,Jansson, K.,Lindberg, J.,Nystrom, S.,Hallberg, A.,Rosenquist, S.,Samuelsson, B.; Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues; Bioorg.Med.Chem., 16:9471-9486, 2008; PubMed: 18842420; DOI: 10.1016/j.bmc.2008.09.041

実験手法

X-RAY DIFFRACTION (2.6 Å)