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Structure paper

TitleStructural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
Journal, issue, pagesJ Fungi (Basel), Vol. 7, Year 2021
Publish dateAug 24, 2021 (structure data deposition date)
AuthorsGraham, D.O. / Wilson, R.K. / Ruma, Y.N. / Keniya, M.V. / Tyndall, J.D.A. / Monk, B.C.
External linksJ Fungi (Basel) / PubMed:34829185
MethodsX-ray diffraction
Resolution1.98 - 2.9 Å
Structure data

PDB-7ry8:
S. CEREVISIAE CYP51 Y140H mutant COMPLEXED WITH Voriconazole
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-7ry9:
S. CEREVISIAE CYP51 I471T mutant COMPLEXED WITH Voriconazole
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-7rya:
S. CEREVISIAE CYP51 I471T MUTANT COMPLEXED WITH ITRACONAZOLE
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-7ryb:
S. CEREVISIAE CYP51 Y140H/I471T - double mutant COMPLEXED WITH Voriconazole
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-VOR:
Voriconazole / medication, antifungal*YM

ChemComp-BGC:
beta-D-glucopyranose

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-1YN:
2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one / medication, antifungal*YM

Source
  • saccharomyces cerevisiae (strain yjm789) (yeast)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / CYP51 / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX / Sterol Biosynthesis / OXIDOREDUCTASE

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