7B1E

BACE1 IN COMPLEX WITH compound 3 (NB-641)

7B1E の概要

• エントリーDOI: 10.2210/pdb7b1e/pdb
• 分子名称: Beta-secretase 1, ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide (3 entities in total)
• 機能のキーワード: beta-secretase; bace1; memapsin2; aspartic acid proteinase; alzheimer's disease; enzyme inhibitor complex; structure-based drug design, hydrolase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 45182.65

構造登録者

Rondeau, J.M.,Wirth, E. (登録日: 2020-11-24, 公開日: 2021-04-28, 最終更新日: 2021-05-05)

• 主引用文献: Rueeger, H.,Lueoend, R.,Machauer, R.,Veenstra, S.J.,Holzer, P.,Hurth, K.,Voegtle, M.,Frederiksen, M.,Rondeau, J.M.,Tintelnot-Blomley, M.,Jacobson, L.H.,Staufenbiel, M.,Laue, G.,Neumann, U.; Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.; J.Med.Chem., 64:4677-4696, 2021; PubMed: 33844524; DOI: 10.1021/acs.jmedchem.0c02143

実験手法

X-RAY DIFFRACTION (1.62 Å)