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4X7I

Crystal Structure of BACE with amino thiazine inhibitor LY2886721

Summary for 4X7I
Entry DOI10.2210/pdb4x7i/pdb
DescriptorBeta-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 Keywordsbace, beta-secretase, inhibitor, complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains2
Total formula weight98905.24
Authors
Timm, D.E. (deposition date: 2014-12-09, release date: 2014-12-24, Last modification date: 2017-11-22)
Primary citationMay, 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: 25609634
DOI: 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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