4NY4
Crystal structure of CYP3A4 in complex with an inhibitor
Summary for 4NY4
| Entry DOI | 10.2210/pdb4ny4/pdb |
| Related | 4NZ2 |
| Descriptor | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine (3 entities in total) |
| Functional Keywords | cytochrome p-450, cyp3a4, inhibitor, structure-based drug design, drug metabolism, monooxygenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
| Biological source | Homo sapiens (human) |
| Cellular location | Endoplasmic reticulum membrane; Single-pass membrane protein: P08684 |
| Total number of polymer chains | 1 |
| Total formula weight | 56432.25 |
| Authors | Branden, G.,Sjogren, T.,Xue, Y. (deposition date: 2013-12-10, release date: 2014-08-13, Last modification date: 2024-02-28) |
| Primary citation | Branden, G.,Sjogren, T.,Schnecke, V.,Xue, Y. Structure-based ligand design to overcome CYP inhibition in drug discovery projects. Drug Discov Today, 19:905-911, 2014 Cited by PubMed: 24642031DOI: 10.1016/j.drudis.2014.03.012 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.95 Å) |
Structure validation
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