4D89
Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment
4D89 の概要
エントリーDOI | 10.2210/pdb4d89/pdb |
関連するPDBエントリー | 3VEU 3VF3 3VG1 4D83 4D85 4D88 4D8C |
分子名称 | Beta-secretase 1, (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide (3 entities in total) |
機能のキーワード | beta-secretase, memapsin2, bace1, aspartic proteinase, alzheimer's disease, enzyme inhibitor complex, structure-based drug design, hydrolase, 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 | 45368.01 |
構造登録者 | |
主引用文献 | Rueeger, H.,Lueoend, R.,Rogel, O.,Rondeau, J.M.,Mobitz, H.,Machauer, R.,Jacobson, L.,Staufenbiel, M.,Desrayaud, S.,Neumann, U. Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55:3364-3386, 2012 Cited by PubMed: 22380629DOI: 10.1021/jm300069y 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.65 Å) |
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