3INE

Bace1 with the aminohydantoin Compound S-34

3INE の概要

• エントリーDOI: 10.2210/pdb3ine/pdb
• 関連するPDBエントリー: 3IND 3INF 3INH
• 分子名称: Beta-secretase 1, (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one (3 entities in total)
• 機能のキーワード: bace1, xray, inhibitor, alternative splicing, aspartyl protease, disulfide bond, glycoprotein, hydrolase, membrane, polymorphism, 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: 46808.47

構造登録者

Olland, A.M.,Chopra, R. (登録日: 2009-08-12, 公開日: 2010-03-02, 最終更新日: 2023-09-06)

• 主引用文献: Malamas, M.S.,Erdei, J.,Gunawan, I.,Turner, J.,Hu, Y.,Wagner, E.,Fan, K.,Chopra, R.,Olland, A.,Bard, J.,Jacobsen, S.,Magolda, R.L.,Pangalos, M.,Robichaud, A.J.; Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.; J.Med.Chem., 53:1146-1158, 2010; PubMed: 19968289; DOI: 10.1021/jm901414e

実験手法

X-RAY DIFFRACTION (1.996 Å)