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5TZ1
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BU of 5tz1 by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Candida albicans in complex with the tetrazole-based antifungal drug candidate VT1161 (VT1)
Descriptor: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase
Authors:Hargrove, T, Wawrzak, Z, Lepesheva, G.
Deposit date:2016-11-21
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.
J. Biol. Chem., 292, 2017
6MCW
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BU of 6mcw by Molmil
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, complex with the detergent Anapoe-X-114
Descriptor: 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol, Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I.
Deposit date:2018-09-02
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
6MI0
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BU of 6mi0 by Molmil
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, ligand-free state
Descriptor: Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I.
Deposit date:2018-09-18
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
7SNM
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BU of 7snm by Molmil
Lanosterol-bound P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus
Descriptor: Cytochrome P450 51, LANOSTEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lepesheva, G.I, Hargrove, T, Wawrzak, Z.
Deposit date:2021-10-28
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Unravelling the role of transient redox partner complexes in P450 electron transfer mechanics.
Sci Rep, 12, 2022

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