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-Structure paper
Title | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. |
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Journal, issue, pages | J. Med. Chem., Vol. 58, Page 2678-2702, Year 2015 |
Publish date | Nov 14, 2014 (structure data deposition date) |
![]() | Butler, C.R. / Brodney, M.A. / Beck, E.M. / Barreiro, G. / Nolan, C.E. / Pan, F. / Vajdos, F. / Parris, K. / Varghese, A.H. / Helal, C.J. ...Butler, C.R. / Brodney, M.A. / Beck, E.M. / Barreiro, G. / Nolan, C.E. / Pan, F. / Vajdos, F. / Parris, K. / Varghese, A.H. / Helal, C.J. / Lira, R. / Doran, S.D. / Riddell, D.R. / Buzon, L.M. / Dutra, J.K. / Martinez-Alsina, L.A. / Ogilvie, K. / Murray, J.C. / Young, J.M. / Atchison, K. / Robshaw, A. / Gonzales, C. / Wang, J. / Zhang, Y. / O'Neill, B.T. |
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Methods | X-ray diffraction |
Resolution | 1.98 - 2.55 Å |
Structure data | ![]() PDB-4wy1: ![]() PDB-4wy6: ![]() PDB-4x2l: |
Chemicals | ![]() ChemComp-3VO: ![]() ChemComp-HOH: ![]() ChemComp-3VP: ![]() ChemComp-IOD: ![]() ChemComp-DMS: ![]() ChemComp-3WP: ![]() ChemComp-NA: ![]() ChemComp-GOL: |
Source |
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![]() | Hydrolase/hydrolase inhibitor / Beta secretase BACE protease / Hydrolase-hydrolase inhibitor complex / BACE beta secretase protease / Beta-secretase / protease |