4JPC

Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors

4JPC の概要

• エントリーDOI: 10.2210/pdb4jpc/pdb
• 関連するPDBエントリー: 4JOO 4JP9 4JPE
• 分子名称: Beta-secretase 1, NICKEL (II) ION, 3-[(4R)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile, ... (4 entities in total)
• 機能のキーワード: aspartyl 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: 45864.22

構造登録者

Vigers, G.P.A.,Smith, D. (登録日: 2013-03-19, 公開日: 2013-04-10, 最終更新日: 2023-09-20)

• 主引用文献: Hunt, K.W.,Cook, A.W.,Watts, R.J.,Clark, C.T.,Vigers, G.,Smith, D.,Metcalf, A.T.,Gunawardana, I.W.,Burkard, M.,Cox, A.A.,Geck Do, M.K.,Dutcher, D.,Thomas, A.A.,Rana, S.,Kallan, N.C.,DeLisle, R.K.,Rizzi, J.P.,Regal, K.,Sammond, D.,Groneberg, R.,Siu, M.,Purkey, H.,Lyssikatos, J.P.,Marlow, A.,Liu, X.,Tang, T.P.; Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.; J.Med.Chem., 56:3379-3403, 2013; PubMed: 23537249; DOI: 10.1021/jm4002154

実験手法

X-RAY DIFFRACTION (1.8 Å)