7MYU
BACE-1 in complex with compound #22
Summary for 7MYU
Entry DOI | 10.2210/pdb7myu/pdb |
Related | 7MYI 7MYR |
Descriptor | Beta-secretase 1, N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide, SULFATE ION, ... (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 | 99033.31 |
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 (1.94 Å) |
Structure validation
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