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4XRY

Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex

Summary for 4XRY
Entry DOI10.2210/pdb4xry/pdb
Related4XRZ
DescriptorCytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, ... (5 entities in total)
Functional Keywordscyp2d6, p450 2d6, cytochrome p450, monooxygenase, bace1, oxidoreductase
Biological sourceHomo sapiens (Human)
Total number of polymer chains4
Total formula weight219957.82
Authors
Johnson, E.F.,Fan, Y. (deposition date: 2015-01-21, release date: 2015-05-20, Last modification date: 2023-09-27)
Primary citationBrodney, 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: 25781223
DOI: 10.1021/acs.jmedchem.5b00191
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.5 Å)
Structure validation

217705

數據於2024-03-27公開中

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