3HVG

Structure of bace (beta secretase) in Complex with EV0

3HVG の概要

• エントリーDOI: 10.2210/pdb3hvg/pdb
• 関連するPDBエントリー: 3HW1
• 分子名称: Beta-secretase 1, 2-amino-6-propylpyrimidin-4(3H)-one, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: protease, alzheimer's disease, aspartic protease, aspartyl protease, base, beta-secretase, glycoprotein, hydrolase, memapsin 2, amyloid precursor protein secretases, aspartic endopeptidases, fragment-based drug design, fluorescence polarisation, disulfide bond, 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: 137934.75

構造登録者

Godemann, R.,Madden, J.,Kramer, J.,Smith, M.A.,Barker, J.,Ebneth, A. (登録日: 2009-06-16, 公開日: 2009-11-03, 最終更新日: 2024-10-16)

主引用文献

Godemann, R.,Madden, J.,Kramer, J.,Smith, M.A.,Fritz, U.,Hesterkamp, T.,Barker, J.,Hoeppner, S.,Hallett, D.,Cesura, A.,Ebneth, A.,Kemp, J.
Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Biochemistry, 48:10743-10751, 2009

PubMed Abstract: Novel nonpeptidic inhibitors of beta-secretase (BACE1) have been discovered by employing a fragment-based biochemical screening approach. A diverse library of 20000 low-molecular weight compounds were screened and yielded 26 novel hits that were confirmed by biochemical and surface plasmon resonance secondary assays. We describe here fragment inhibitors cocrystallized with BACE1 in a flap open and flap closed conformation as determined by X-ray crystallography.

PubMed: 19799414
DOI: 10.1021/bi901061a

実験手法

X-RAY DIFFRACTION (2.26 Å)