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; PubMed: 34081466; DOI: 10.1021/acs.jmedchem.1c00489

Experimental method

X-RAY DIFFRACTION (1.94 Å)