4XRZ
Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex
Summary for 4XRZ
Entry DOI | 10.2210/pdb4xrz/pdb |
Related | 4XRY |
Descriptor | Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, ... (7 entities in total) |
Functional Keywords | cyp2d6, p450 2d6, cytochrome p450, monooxygenase, oxidoreductase-oxidoreductase inhibitor complex, bace1, oxidoreductase/oxidoreductase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 4 |
Total formula weight | 220035.00 |
Authors | Johnson, E.F.,Fan, Y. (deposition date: 2015-01-21, release date: 2015-05-20, Last modification date: 2023-09-27) |
Primary citation | 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. Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58:3223-3252, 2015 Cited by PubMed: 25781223DOI: 10.1021/acs.jmedchem.5b00191 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
Download full validation report