6OD6

Structure of BACE-1 in complex with Ligand 13

6OD6 の概要

• エントリーDOI: 10.2210/pdb6od6/pdb
• 分子名称: Beta-secretase 1, N-{3-[(3R)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: bace protease, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 145590.67

構造登録者

Shaffer, P.L. (登録日: 2019-03-26, 公開日: 2019-09-25, 最終更新日: 2024-03-13)

• 主引用文献: Oehlrich, D.,Peschiulli, A.,Tresadern, G.,Van Gool, M.,Vega, J.A.,De Lucas, A.I.,Alonso de Diego, S.A.,Prokopcova, H.,Austin, N.,Van Brandt, S.,Surkyn, M.,De Cleyn, M.,Vos, A.,Rombouts, F.J.R.,Macdonald, G.,Moechars, D.,Gijsen, H.J.M.,Trabanco, A.A.; Evaluation of a Series of beta-Secretase 1 Inhibitors Containing Novel Heteroaryl-Fused-Piperazine Amidine Warheads.; Acs Med.Chem.Lett., 10:1159-1165, 2019; PubMed: 31413800; DOI: 10.1021/acsmedchemlett.9b00181

実験手法

X-RAY DIFFRACTION (2 Å)