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-Structure paper
Title | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. |
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Journal, issue, pages | J. Med. Chem., Vol. 58, Page 3223-3252, Year 2015 |
Publish date | Jan 21, 2015 (structure data deposition date) |
![]() | Brodney, M.A. / Beck, E.M. / Butler, C.R. / Barreiro, G. / Johnson, E.F. / Riddell, D. / Parris, K. / Nolan, C.E. / Fan, Y. / Atchison, K. ...Brodney, M.A. / Beck, E.M. / Butler, C.R. / Barreiro, G. / Johnson, E.F. / Riddell, D. / Parris, K. / Nolan, C.E. / Fan, Y. / Atchison, K. / Gonzales, C. / Robshaw, A.E. / Doran, S.D. / Bundesmann, M.W. / Buzon, L. / Dutra, J. / Henegar, K. / LaChapelle, E. / Hou, X. / Rogers, B.N. / Pandit, J. / Lira, R. / Martinez-Alsina, L. / Mikochik, P. / Murray, J.C. / Ogilvie, K. / Price, L. / Sakya, S.M. / Yu, A. / Zhang, Y. / O'Neill, B.T. |
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Methods | X-ray diffraction |
Resolution | 1.86 - 2.5 Å |
Structure data | ![]() PDB-4xry: ![]() PDB-4xrz: ![]() PDB-4xxs: |
Chemicals | ![]() ChemComp-HEM: ![]() ChemComp-SI5: ![]() ChemComp-ZN: ![]() ChemComp-HOH: ![]() ChemComp-SI6: ![]() ChemComp-GOL: ![]() ChemComp-NA: ![]() ChemComp-IOD: ![]() ChemComp-DMS: |
Source |
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![]() | OXIDOREDUCTASE / CYP2D6 / P450 2D6 / Cytochrome P450 / MONOOXYGENASE / BACE1 / OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / oxidoreductase-oxidoreductase inhibitor complex / hydrolase/hydrolase inhibitor / Amyloid Precursor Protein Secretases / Aspartic Acid Endopeptidases / Drug Design / Structure-Activity Relationship / hydrolase-hydrolase inhibitor complex |