4FM8
Crystal Structure of BACE with Compound 12a
4FM8 の概要
エントリーDOI | 10.2210/pdb4fm8/pdb |
分子名称 | Beta-secretase 1, (5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide, ZINC ION, ... (5 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 | 45745.80 |
構造登録者 | |
主引用文献 | Brodney, M.A.,Barreiro, G.,Ogilvie, K.,Hajos-Korcsok, E.,Murray, J.,Vajdos, F.,Ambroise, C.,Christoffersen, C.,Fisher, K.,Lanyon, L.,Liu, J.,Nolan, C.E.,Withka, J.M.,Borzilleri, K.A.,Efremov, I.,Oborski, C.E.,Varghese, A.,O'Neill, B.T. Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. J.Med.Chem., 55:9224-9239, 2012 Cited by PubMed: 22984865DOI: 10.1021/jm3009426 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.9 Å) |
構造検証レポート
検証レポート(詳細版)をダウンロード