3RWL
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![BU of 3rwl by Molmil](/molmil-images/mine/3rwl) | Structure of P450pyr hydroxylase | Descriptor: | Cytochrome P450 alkane hydroxylase 1 CYP153A7, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pompidor, G. | Deposit date: | 2011-05-09 | Release date: | 2012-04-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolving P450pyr hydroxylase for highly enantioselective hydroxylation at non-activated carbon atom. Chem.Commun.(Camb.), 48, 2012
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3RUK
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![BU of 3ruk by Molmil](/molmil-images/mine/3ruk) | Human Cytochrome P450 CYP17A1 in complex with Abiraterone | Descriptor: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2011-05-05 | Release date: | 2012-01-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001. Nature, 482, 2012
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3OFU
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![BU of 3ofu by Molmil](/molmil-images/mine/3ofu) | Crystal Structure of Cytochrome P450 CYP101C1 | Descriptor: | (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zhou, W, Ma, M, Bell, S.G, Yang, W, Hao, Y, Rees, N.H, Bartlam, M, Wong, L.-L, Rao, Z. | Deposit date: | 2010-08-16 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444. Chembiochem, 12, 2011
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3NV6
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![BU of 3nv6 by Molmil](/molmil-images/mine/3nv6) | Crystal Structure of Camphor-Bound CYP101D2 | Descriptor: | CAMPHOR, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ... | 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 (2.2 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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3OFT
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![BU of 3oft by Molmil](/molmil-images/mine/3oft) | Crystal Structure of Cytochrome P450 CYP101C1 | Descriptor: | (2R,5R)-hexane-2,5-diol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zhou, W, Ma, M, Bell, S.G, Yang, W, Hao, Y, Rees, N.H, Bartlam, M, Wong, L.-L, Rao, Z. | Deposit date: | 2010-08-16 | Release date: | 2011-07-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444. Chembiochem, 12, 2011
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3NPL
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![BU of 3npl by Molmil](/molmil-images/mine/3npl) | Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Ener, M, Lee, Y.-T, Goodin, D.B, Winkler, J.R, Gray, H.B, Cheruzel, L. | Deposit date: | 2010-06-28 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant To be Published
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3S7S
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![BU of 3s7s by Molmil](/molmil-images/mine/3s7s) | |
5CP4
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![BU of 5cp4 by Molmil](/molmil-images/mine/5cp4) | CRYOGENIC STRUCTURE OF P450CAM | Descriptor: | CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 1998-05-28 | Release date: | 1998-09-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect. Biochemistry, 37, 1998
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5CJE
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![BU of 5cje by Molmil](/molmil-images/mine/5cje) | Structure of CYP107L2 | Descriptor: | Cytochrome P450 hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pham, T.-V, Han, S.-H, Kim, J.-H, Kim, D.-H, Kang, L.-W. | Deposit date: | 2015-07-14 | Release date: | 2016-07-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of CYP107L2 To Be Published
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5CWE
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![BU of 5cwe by Molmil](/molmil-images/mine/5cwe) | Structure of CYP107L2 from Streptomyces avermitilis with lauric acid | Descriptor: | Cytochrome P450 hydroxylase, GLYCEROL, LAURIC ACID, ... | Authors: | Pham, T.-V, Han, S.-H, Kim, J.-H, Kim, D.-H, Kang, L.-W. | Deposit date: | 2015-07-28 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of CYP107L2 from Streptomyces avermitilis with lauric acid To Be Published
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5EAG
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![BU of 5eag by Molmil](/molmil-images/mine/5eag) | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Prochloraz | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Prochloraz | 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 (2.4 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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5EAD
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![BU of 5ead by Molmil](/molmil-images/mine/5ead) | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-desthio-prothioconazole | Descriptor: | (2~{S})-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 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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5D40
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![BU of 5d40 by Molmil](/molmil-images/mine/5d40) | Crystal structure of the 5-selective H176Y 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 (1.51 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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5E0E
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![BU of 5e0e by Molmil](/molmil-images/mine/5e0e) | |
5E9Z
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![BU of 5e9z by Molmil](/molmil-images/mine/5e9z) | Cytochrome P450 BM3 mutant M11 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ... | Authors: | Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P. | Deposit date: | 2015-10-15 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. Proteins, 84, 2016
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5EAC
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![BU of 5eac by Molmil](/molmil-images/mine/5eac) | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-tebuconazole | Descriptor: | (3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-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 (2.26 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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5E78
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![BU of 5e78 by Molmil](/molmil-images/mine/5e78) | Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep | Descriptor: | 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane, Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, ... | Authors: | Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U. | Deposit date: | 2015-10-12 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic insights into a cobalt (III) sepulchrate based alternative cofactor system of P450 BM3 monooxygenase. Biochim. Biophys. Acta, 1866, 2018
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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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5E7Y
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![BU of 5e7y by Molmil](/molmil-images/mine/5e7y) | Crystal structure of P450 BM3 heme domain M7 variant | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U. | Deposit date: | 2015-10-13 | Release date: | 2017-01-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of P450 BM3 heme domain M7 variant To Be Published
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5DYZ
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![BU of 5dyz by Molmil](/molmil-images/mine/5dyz) | Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 in complex with N-palmitoylglycine | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Di Nardo, G, Dell'Angelo, V, Gilardi, G. | Deposit date: | 2015-09-25 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.967 Å) | Cite: | Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen. Arch.Biochem.Biophys., 602, 2016
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5E58
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![BU of 5e58 by Molmil](/molmil-images/mine/5e58) | Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ... | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-10-08 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism. Mol.Pharmacol., 89, 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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5CPP
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5EAF
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![BU of 5eaf by Molmil](/molmil-images/mine/5eaf) | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Fluquinconazole | Descriptor: | 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one, 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 (2.65 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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5EAB
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![BU of 5eab by Molmil](/molmil-images/mine/5eab) | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-tebuconazole | Descriptor: | (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-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 (2.6 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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