3PI5

Crystal Structure of Human Beta Secretase in Complex with BFG356

3PI5 の概要

• エントリーDOI: 10.2210/pdb3pi5/pdb
• 分子名称: Beta-secretase 1, (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide (3 entities in total)
• 機能のキーワード: enzyme inhibitor complex, aspartic proteinase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 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: 135773.25

構造登録者

Rondeau, J.M. (登録日: 2010-11-05, 公開日: 2011-03-23, 最終更新日: 2017-03-01)

• 主引用文献: Rueeger, H.,Rondeau, J.M.,McCarthy, C.,Mobitz, H.,Tintelnot-Blomley, M.,Neumann, U.,Desrayaud, S.; Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.; Bioorg.Med.Chem.Lett., 21:1942-1947, 2011; PubMed: 21388807; DOI: 10.1016/j.bmcl.2011.02.038

実験手法

X-RAY DIFFRACTION (2.4 Å)