5ESE
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![BU of 5ese by Molmil](/molmil-images/mine/5ese) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73R mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
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3EKB
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3E5K
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![BU of 3e5k by Molmil](/molmil-images/mine/3e5k) | Crystal structure of CYP105P1 wild-type 4-phenylimidazole complex | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450 (Cytochrome P450 hydroxylase), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, L.H, Fushinobu, S, Ikeda, H, Wakagi, T, Shoun, H. | Deposit date: | 2008-08-14 | Release date: | 2008-12-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of cytochrome P450 105P1 from Streptomyces avermitilis: conformational flexibility and histidine ligation state J.Bacteriol., 191, 2009
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3E6I
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5JQU
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![BU of 5jqu by Molmil](/molmil-images/mine/5jqu) | Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) variant with iron(III) deuteroporphyrin IX bound | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, FE(III) DEUTEROPORPHYRIN IX | Authors: | Reynolds, E.W, McHenry, M.W, Cannac, F, Gober, J.G, Snow, C.D, Brustad, E.M. | Deposit date: | 2016-05-05 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.162 Å) | Cite: | An Evolved Orthogonal Enzyme/Cofactor Pair. J.Am.Chem.Soc., 138, 2016
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5ESF
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![BU of 5esf by Molmil](/molmil-images/mine/5esf) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
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5D3U
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![BU of 5d3u by Molmil](/molmil-images/mine/5d3u) | Crystal structure of the 5-selective H176F mutant of Cytochrome TxtE | Descriptor: | CHLORIDE ION, GLYCEROL, P450-like protein, ... | Authors: | Cahn, J.K.B, Dodani, S.C, Arnold, F.H. | Deposit date: | 2015-08-06 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models. Nat.Chem., 8, 2016
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5DE9
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![BU of 5de9 by Molmil](/molmil-images/mine/5de9) | The role of Ile87 of CYP158A2 in oxidative coupling reaction | Descriptor: | Biflaviolin synthase CYP158A2, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE | Authors: | Zhao, B. | Deposit date: | 2015-08-25 | Release date: | 2015-09-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | The role of Ile87 of CYP158A2 in oxidative coupling reaction. Arch. Biochem. Biophys., 518, 2012
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3NV5
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![BU of 3nv5 by Molmil](/molmil-images/mine/3nv5) | Crystal Structure of Cytochrome P450 CYP101D2 | Descriptor: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yang, W, Bell, S.G, Wang, H, Zhou, W.H, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-07-08 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | The structure of CYP101D2 unveils a potential path for substrate entry into the active site Biochem.J., 433, 2011
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5M0N
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![BU of 5m0n by Molmil](/molmil-images/mine/5m0n) | Crystal structure of cytochrome P450 OleT in complex with formate | Descriptor: | FORMIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | Deposit date: | 2016-10-05 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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2VE3
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![BU of 2ve3 by Molmil](/molmil-images/mine/2ve3) | Retinoic acid bound cyanobacterial CYP120A1 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 120, RETINOIC ACID | Authors: | Kuhnel, K, Ke, N, Sligar, S.G, Schuler, M.A, Schlichting, I. | Deposit date: | 2007-10-15 | Release date: | 2008-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Substrate-Free and Retinoic Acid-Bound Cyanobacterial Cytochrome P450 Cyp120A1. Biochemistry, 47, 2008
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3O1A
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5EAE
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![BU of 5eae by Molmil](/molmil-images/mine/5eae) | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-desthio-prothioconazole | Descriptor: | (2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. | Deposit date: | 2015-10-16 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE, 11, 2016
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3EKD
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5DYP
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5JKW
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5JLC
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![BU of 5jlc by Molmil](/molmil-images/mine/5jlc) | Structure of CYP51 from the pathogen Candida glabrata | Descriptor: | 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, CHLORIDE ION, Lanosterol 14-alpha demethylase, ... | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2016-04-26 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
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3R1B
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![BU of 3r1b by Molmil](/molmil-images/mine/3r1b) | Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | Descriptor: | (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | Deposit date: | 2011-03-09 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry, 50, 2011
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5ESG
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![BU of 5esg by Molmil](/molmil-images/mine/5esg) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with itraconazole | Descriptor: | 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, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
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3E5L
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![BU of 3e5l by Molmil](/molmil-images/mine/3e5l) | Crystal structure of CYP105P1 H72A mutant | Descriptor: | Cytochrome P450 (Cytochrome P450 hydroxylase), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, L.H, Fushinobu, S, Ikeda, H, Wakagi, T, Shoun, H. | Deposit date: | 2008-08-14 | Release date: | 2008-12-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of cytochrome P450 105P1 from Streptomyces avermitilis: conformational flexibility and histidine ligation state J.Bacteriol., 191, 2009
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2VZM
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![BU of 2vzm by Molmil](/molmil-images/mine/2vzm) | |
5EM4
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![BU of 5em4 by Molmil](/molmil-images/mine/5em4) | Structure of CYP2B4 F244W in a ligand free conformation | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-11-05 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
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2W09
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5ESH
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![BU of 5esh by Molmil](/molmil-images/mine/5esh) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant in complex with itraconazole | Descriptor: | 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, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
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5ESJ
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![BU of 5esj by Molmil](/molmil-images/mine/5esj) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
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