7MYI
BACE-1 in complex with compound #6
Summary for 7MYI
Entry DOI | 10.2210/pdb7myi/pdb |
Descriptor | Beta-secretase 1, (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, GLYCEROL, ... (4 entities in total) |
Functional Keywords | protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 98759.29 |
Authors | Hendle, J.,Timm, D.E.,Stout, S.L. (deposition date: 2021-05-21, release date: 2021-07-21, Last modification date: 2023-10-18) |
Primary citation | McKinzie, D.L.,Winneroski, L.L.,Green, S.J.,Hembre, E.J.,Erickson, J.A.,Willis, B.A.,Monk, S.A.,Aluise, C.D.,Baker, T.K.,Lopez, J.E.,Hendle, J.,Beck, J.P.,Brier, R.A.,Boggs, L.N.,Borders, A.R.,Cocke, P.J.,Garcia-Losada, P.,Lowe, S.L.,Mathes, B.M.,May, P.C.,Porter, W.J.,Stout, S.L.,Timm, D.E.,Watson, B.M.,Yang, Z.,Mergott, D.J. Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. J.Med.Chem., 64:8076-8100, 2021 Cited by PubMed: 34081466DOI: 10.1021/acs.jmedchem.1c00489 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.25 Å) |
Structure validation
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