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TitleExploring Long Arm Amide-Linked Side Chains in the Design of Antifungal Azole Inhibitors of Sterol 14 alpha-Demethylase (CYP51).
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 10781-10799, Year 2025
Publish dateJan 8, 2024 (structure data deposition date)
AuthorsAlsulaimany, M. / Keniya, M.V. / Alanazi, R.S. / N Ruma, Y. / Hughes, C.S. / Jones, A.T. / Tyndall, J.D.A. / Parker, J.E. / Monk, B.C. / Simons, C.
External linksJ. Med. Chem. / PubMed:40403151
MethodsX-ray diffraction
Resolution1.89 Å
Structure data

PDB-8vk6:
14alpha-demethylase (CYP51) with amide-linked long arm extension antifungal azole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

PDB-1ab6:
STRUCTURE OF CHEY MUTANT F14N, V86T

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-LMT:
DODECYL-BETA-D-MALTOSIDE / detergent*YM

ChemComp-HOH:
WATER

Source
  • saccharomyces cerevisiae yjm789 (yeast)
KeywordsOXIDOREDUCTASE/INHIBITOR / amide-linked azole inhibitor / CYP51 / OXIDOREDUCTASE-INHIBITOR complex

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