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Title | Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors. |
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Journal, issue, pages | J. Med. Chem., Vol. 53, Page 942-950, Year 2010 |
Publish date | Nov 11, 2009 (structure data deposition date) |
![]() | Wang, Y.S. / Strickland, C. / Voigt, J.H. / Kennedy, M.E. / Beyer, B.M. / Senior, M.M. / Smith, E.M. / Nechuta, T.L. / Madison, V.S. / Czarniecki, M. ...Wang, Y.S. / Strickland, C. / Voigt, J.H. / Kennedy, M.E. / Beyer, B.M. / Senior, M.M. / Smith, E.M. / Nechuta, T.L. / Madison, V.S. / Czarniecki, M. / McKittrick, B.A. / Stamford, A.W. / Parker, E.M. / Hunter, J.C. / Greenlee, W.J. / Wyss, D.F. |
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Methods | X-ray diffraction |
Resolution | 1.7 - 1.9 Å |
Structure data | ![]() PDB-3kmx: ![]() PDB-3kmy: ![]() PDB-3kn0: |
Chemicals | ![]() ChemComp-G00: ![]() ChemComp-HOH: ![]() ChemComp-D8Y: ![]() ChemComp-3TO: ![]() ChemComp-TLA: |
Source |
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![]() | HYDROLASE / Alzheimer's / BACE1 / Alternative splicing / Aspartyl protease / Disulfide bond / Endoplasmic reticulum / Endosome / Glycoprotein / Golgi apparatus / Membrane / Polymorphism / Protease / Transmembrane / Zymogen |