6UWP
BACE-1 in complex with compound #32
Summary for 6UWP
Entry DOI | 10.2210/pdb6uwp/pdb |
Related | 6UVY |
Descriptor | Beta-secretase 1, (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, GLYCEROL, ... (5 entities in total) |
Functional Keywords | protease, inhibitor, complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 99650.08 |
Authors | Hendle, J.,Timm, D.E. (deposition date: 2019-11-05, release date: 2019-12-11, Last modification date: 2023-10-11) |
Primary citation | 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 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.29 Å) |
Structure validation
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