3OOZ

Bace1 in complex with the aminohydantoin Compound 102

3OOZ の概要

• エントリーDOI: 10.2210/pdb3ooz/pdb
• 分子名称: Beta-secretase 1, (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one (3 entities in total)
• 機能のキーワード: inhibitor, beta-secretase, protease, 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: 1
• 化学式量合計: 46874.38

構造登録者

Olland, A.M. (登録日: 2010-08-31, 公開日: 2011-08-31, 最終更新日: 2023-09-06)

• 主引用文献: Malamas, M.S.,Robichaud, A.,Erdei, J.,Quagliato, D.,Solvibile, W.,Zhou, P.,Morris, K.,Turner, J.,Wagner, E.,Fan, K.,Olland, A.,Jacobsen, S.,Reinhart, P.,Riddell, D.,Pangalos, M.; Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability; Bioorg.Med.Chem.Lett., 20:6597-6605, 2010; PubMed: 20880704; DOI: 10.1016/j.bmcl.2010.09.029

実験手法

X-RAY DIFFRACTION (1.8 Å)