2G94
Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
2G94 の概要
エントリーDOI | 10.2210/pdb2g94/pdb |
分子名称 | Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE (3 entities in total) |
機能のキーワード | beta secretase, alzheimer's disease, memapsin, bace, asp2, aspartic protease, drug design, protease inhibitor, hydrolase |
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 | 4 |
化学式量合計 | 175886.62 |
構造登録者 | |
主引用文献 | Ghosh, A.K.,Kumaragurubaran, N.,Hong, L.,Lei, H.,Hussain, K.A.,Liu, C.F.,Devasamudram, T.,Weerasena, V.,Turner, R.,Koelsch, G.,Bilcer, G.,Tang, J. Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors. J.Am.Chem.Soc., 128:5310-5311, 2006 Cited by PubMed: 16620080DOI: 10.1021/ja058636j 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.86 Å) |
構造検証レポート
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