3EXO

Crystal structure of BACE1 bound to inhibitor

3EXO の概要

• エントリーDOI: 10.2210/pdb3exo/pdb
• 分子名称: Beta-secretase 1, SULFATE ION, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: beta secretase, bace 1, 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: 1
• 化学式量合計: 46729.34

構造登録者

Allison, T.J. (登録日: 2008-10-16, 公開日: 2009-02-03, 最終更新日: 2024-10-09)

主引用文献

Steele, T.G.,Hills, I.D.,Nomland, A.A.,de Leon, P.,Allison, T.,McGaughey, G.,Colussi, D.,Tugusheva, K.,Haugabook, S.J.,Espeseth, A.S.,Zuck, P.,Graham, S.L.,Stachel, S.J.
Identification of a small molecule beta-secretase inhibitor that binds without catalytic aspartate engagement.
Bioorg.Med.Chem.Lett., 19:17-20, 2009

PubMed Abstract: A small molecule inhibitor of beta-secretase with a unique binding mode has been developed. Crystallographic determination of the enzyme-inhibitor complex shows the catalytic aspartate residues in the active site are not engaged in inhibitor binding. This unprecedented binding mode in the field of aspartyl protease inhibition is described.

PubMed: 19036583
DOI: 10.1016/j.bmcl.2008.11.027

実験手法

X-RAY DIFFRACTION (2.1 Å)