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TitleStructural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1.
Journal, issue, pagesDrug Metab. Dispos., Vol. 45, Page 635-645, Year 2017
Publish dateMar 14, 2016 (structure data deposition date)
AuthorsPetrunak, E.M. / Rogers, S.A. / Aube, J. / Scott, E.E.
External linksDrug Metab. Dispos. / PubMed:28373265
MethodsX-ray diffraction
Resolution2.202 - 3.098 Å
Structure data

PDB-5irq:
Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel
Method: X-RAY DIFFRACTION / Resolution: 2.202 Å

PDB-5irv:
Human cytochrome P450 17A1 bound to inhibitor VT-464
Method: X-RAY DIFFRACTION / Resolution: 3.098 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-6D7:
(R)-orteronel

ChemComp-7D6:
(S)-orteronel

ChemComp-HOH:
WATER

ChemComp-6D8:
VT-464 / medication, inhibitor*YM

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / LYASE/INHIBITOR / Inhibitor complex / LYASE-INHIBITOR complex

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