4X7I
Crystal Structure of BACE with amino thiazine inhibitor LY2886721
Summary for 4X7I
Entry DOI | 10.2210/pdb4x7i/pdb |
Descriptor | Beta-secretase 1, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide, GLYCEROL, ... (4 entities in total) |
Functional Keywords | bace, beta-secretase, inhibitor, complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 2 |
Total formula weight | 98905.24 |
Authors | Timm, D.E. (deposition date: 2014-12-09, release date: 2014-12-24, Last modification date: 2017-11-22) |
Primary citation | May, P.C.,Willis, B.A.,Lowe, S.L.,Dean, R.A.,Monk, S.A.,Cocke, P.J.,Audia, J.E.,Boggs, L.N.,Borders, A.R.,Brier, R.A.,Calligaro, D.O.,Day, T.A.,Ereshefsky, L.,Erickson, J.A.,Gevorkyan, H.,Gonzales, C.R.,James, D.E.,Jhee, S.S.,Komjathy, S.F.,Li, L.,Lindstrom, T.D.,Mathes, B.M.,Martenyi, F.,Sheehan, S.M.,Stout, S.L.,Timm, D.E.,Vaught, G.M.,Watson, B.M.,Winneroski, L.L.,Yang, Z.,Mergott, D.J. The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans. J.Neurosci., 35:1199-1210, 2015 Cited by PubMed: 25609634DOI: 10.1523/JNEUROSCI.4129-14.2015 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.77 Å) |
Structure validation
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