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TitleThe Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.
Journal, issue, pagesJ. Neurosci., Vol. 35, Page 1199-1210, Year 2015
Publish dateDec 9, 2014 (structure data deposition date)
AuthorsMay, 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. ...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.
External linksJ. Neurosci. / PubMed:25609634
MethodsX-ray diffraction
Resolution1.77 Å
Structure data

PDB-4x7i:
Crystal Structure of BACE with amino thiazine inhibitor LY2886721
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

Chemicals

ChemComp-3YS:
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

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / BACE / beta-secretase / inhibitor / complex / HYDROLASE-HYDROLASE INHIBITOR complex

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