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TitleIn Silico and Intuitive Predictions of CYP46A1 Inhibition by Marketed Drugs with Subsequent Enzyme Crystallization in Complex with Fluvoxamine.
Journal, issue, pagesMol. Pharmacol., Vol. 82, Page 824-834, Year 2012
Publish dateApr 13, 2012 (structure data deposition date)
AuthorsMast, N. / Linger, M. / Clark, M. / Wiseman, J. / Stout, C.D. / Pikuleva, I.A.
External linksMol. Pharmacol. / PubMed:22859721
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-4enh:
Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-FVX:
Fluvoxamine / antidepressant, inhibitor*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / enzyme / P450 / fluvoxamine / endoplasmic reticulum

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