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Structure paper

TitleCooperative inhibition in cytochrome P450 between a substrate and an apparent noncompetitive inhibitor.
Journal, issue, pagesJ. Biol. Chem., Vol. 301, Page 108513-108513, Year 2025
Publish dateDec 5, 2024 (structure data deposition date)
AuthorsHirano, Y. / Yoneda, S. / Yasuda, K. / Kurita, N. / Kawagoe, F. / Mikami, B. / Takita, T. / Yasukawa, K. / Ikushiro, S. / Takimoto-Kamimura, M. ...Hirano, Y. / Yoneda, S. / Yasuda, K. / Kurita, N. / Kawagoe, F. / Mikami, B. / Takita, T. / Yasukawa, K. / Ikushiro, S. / Takimoto-Kamimura, M. / Kittaka, A. / Sakaki, T. / Tamada, T.
External linksJ. Biol. Chem. / PubMed:40246023
MethodsX-ray diffraction
Resolution1.8 - 2.1 Å
Structure data

PDB-9kw2:
Crystal structure of CYP105A1 R84A and ketoconazole complex
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9kw3:
Crystal structure of CYP105A1 R84A and lanoconazole complex
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9kw4:
Crystal structure of CYP105A1 R84A and miconazole complex
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9kw5:
Crystal structure of CYP105A1 R84A, diclofenac and lanoconazole complex
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-KTN:
CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE / medication, antifungal*YM

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-HOH:
WATER

PDB-1l6q:
Unknown entry

PDB-1l6x:
FC FRAGMENT OF RITUXIMAB BOUND TO A MINIMIZED VERSION OF THE B-DOMAIN FROM PROTEIN A CALLED Z34C

ChemComp-DIF:
2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID / antiinflammatory, medication*YM

Source
  • streptomyces griseolus (bacteria)
KeywordsOXIDOREDUCTASE / Cytochrome P450 / Inhibitor / Heme / EI complex / Substrate / ESI complex

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