6UVP
BACE-1 in complex with compound #3
6UVP の概要
エントリーDOI | 10.2210/pdb6uvp/pdb |
分子名称 | Beta-secretase 1, N-{(1S,2S)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, ... (6 entities in total) |
機能のキーワード | protease, inhibitor, complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor |
由来する生物種 | Homo sapiens (Human) |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 100615.10 |
構造登録者 | |
主引用文献 | Winneroski, L.L.,Erickson, J.A.,Green, S.J.,Lopez, J.E.,Stout, S.L.,Porter, W.J.,Timm, D.E.,Audia, J.E.,Barberis, M.,Beck, J.P.,Boggs, L.N.,Borders, A.R.,Boyer, R.D.,Brier, R.A.,Hembre, E.J.,Hendle, J.,Garcia-Losada, P.,Minguez, J.M.,Mathes, B.M.,May, P.C.,Monk, S.A.,Rankovic, Z.,Shi, Y.,Watson, B.M.,Yang, Z.,Mergott, D.J. Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28:115194-115194, 2020 Cited by PubMed: 31786008DOI: 10.1016/j.bmc.2019.115194 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.56 Å) |
構造検証レポート
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