3DV1
Crystal structure of human beta-secretase in complex with NVP-ARV999
3DV1 の概要
エントリーDOI | 10.2210/pdb3dv1/pdb |
関連するPDBエントリー | 3DUY 3DV5 |
分子名称 | Beta-secretase 1, (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide (3 entities in total) |
機能のキーワード | beta-secretase, bace1, memapsin2, aspartic protease, enzyme inhibitor complex, alzheimer's disease, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, transmembrane, zymogen |
由来する生物種 | Homo sapiens |
細胞内の位置 | Membrane; Single-pass type I membrane protein: P56817 |
タンパク質・核酸の鎖数 | 3 |
化学式量合計 | 135650.90 |
構造登録者 | |
主引用文献 | Machauer, R.,Laumen, K.,Veenstra, S.,Rondeau, J.M.,Tintelnot-Blomley, M.,Betschart, C.,Jaton, A.L.,Desrayaud, S.,Staufenbiel, M.,Rabe, S.,Paganetti, P.,Neumann, U. Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo. Bioorg.Med.Chem.Lett., 19:1366-1370, 2009 Cited by PubMed Abstract: The macrocyclic peptidic BACE-1 inhibitors 2a-c show moderate enzymatic and cellular activity. By exchange of the hydroxyethylene- to ethanolamine-transition state mimetic the peptidic character was reduced, providing the highly potent and selective inhibitor 3. Variation of the P' moiety resulted in the macrocyclic inhibitor 14. Both macrocycles show inhibition of BACE-1 in the brain of APP51/16 transgenic mice, 3 (NB-544) after intravenous and 14 (NB-533) after oral application. PubMed: 19195887DOI: 10.1016/j.bmcl.2009.01.055 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.1 Å) |
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