4H3G
Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile
4H3G の概要
エントリーDOI | 10.2210/pdb4h3g/pdb |
分子名称 | Beta-secretase 1, L(+)-TARTARIC ACID, 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, ... (4 entities in total) |
機能のキーワード | bace1, alzheimers, 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 | 2 |
化学式量合計 | 93857.15 |
構造登録者 | |
主引用文献 | Mandal, M.,Zhu, Z.,Cumming, J.N.,Liu, X.,Strickland, C.,Mazzola, R.D.,Caldwell, J.P.,Leach, P.,Grzelak, M.,Hyde, L.,Zhang, Q.,Terracina, G.,Zhang, L.,Chen, X.,Kuvelkar, R.,Kennedy, M.E.,Favreau, L.,Cox, K.,Orth, P.,Buevich, A.,Voigt, J.,Wang, H.,Kazakevich, I.,McKittrick, B.A.,Greenlee, W.,Parker, E.M.,Stamford, A.W. Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55:9331-9345, 2012 Cited by PubMed: 22989333DOI: 10.1021/jm301039c 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.85 Å) |
構造検証レポート
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