4DUC
 
 | | cytochrome P450 BM3h-2G9 MRI sensor, no ligand | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 2G9 | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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4DUD
 | | cytochrome P450 BM3h-2G9C6 MRI sensor, no ligand | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 2G9C6 | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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4FIA
 | | Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound | | Descriptor: | Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Stout, C.D, Pikuleva, I.A, Mast, N. | | Deposit date: | 2012-06-08 | | Release date: | 2013-01-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.
J.Biol.Chem., 288, 2013
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4CKA
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFS) | | Descriptor: | (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-31 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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4CK8
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-(4-(3,4- dichlorophenyl)piperazin-1-yl)phenylcarbamate (LFD) | | Descriptor: | (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-30 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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4CK9
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFT) | | Descriptor: | (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-31 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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4C9P
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4EJJ
 | | Human Cytochrome P450 2A6 in complex with nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2012-04-06 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
J.Biol.Chem., 287, 2012
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4EP6
 | | Crystal structure of the XplA heme domain in complex with imidazole and PEG | | Descriptor: | Cytochrome P450-like protein XplA, IMIDAZOLE, PENTAETHYLENE GLYCOL, ... | | Authors: | Bui, S.H, McLean, K.J, Cheesman, M.R, Bradley, J.M, Rigby, S.E.J, Leys, D, Munro, A.W. | | Deposit date: | 2012-04-17 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Unusual Spectroscopic and Ligand Binding Properties of the Cytochrome P450-Flavodoxin Fusion Enzyme XplA.
J.Biol.Chem., 287, 2012
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4EGP
 | | The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid | | Descriptor: | CHLORIDE ION, Cytochrome P450, GLYCEROL, ... | | Authors: | Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. | | Deposit date: | 2012-03-31 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
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4EK1
 | | Crystal Structure of Electron-Spin Labeled Cytochrome P450cam | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Lee, Y.-T, Goodin, D.B. | | Deposit date: | 2012-04-08 | | Release date: | 2012-07-25 | | Last modified: | 2012-08-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4G47
 | | Structure of cytochrome P450 CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)phenol | | Descriptor: | 4-(1H-1,2,4-triazol-1-yl)phenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | | Deposit date: | 2012-07-16 | | Release date: | 2012-09-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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4G44
 | | Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline | | Descriptor: | 3-(1H-1,2,4-triazol-1-ylmethyl)aniline, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | | Deposit date: | 2012-07-16 | | Release date: | 2012-09-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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4G45
 | | Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine | | Descriptor: | 2-methylquinolin-6-amine, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | | Deposit date: | 2012-07-16 | | Release date: | 2012-09-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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4G46
 | | Structure of cytochrome P450 CYP121 in complex with 4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylate | | Descriptor: | 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | | Deposit date: | 2012-07-16 | | Release date: | 2012-09-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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4GGV
 | | Crystal Structure of HmtT Involved in Himastatin Biosynthesis | | Descriptor: | Cytochrome P450 superfamily protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhang, H, Chen, J, Wang, H, Zhang, H. | | Deposit date: | 2012-08-07 | | Release date: | 2013-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.331 Å) | | Cite: | Structural analysis of HmtT and HmtN involved in the tailoring steps of himastatin biosynthesis
Febs Lett., 587, 2013
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4FYZ
 | | Crystal Structure of Nitrosyl Cytochrome P450cin | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, NITRIC OXIDE, ... | | Authors: | Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L. | | Deposit date: | 2012-07-05 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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4G3R
 | | Crystal Structure of Nitrosyl Cytochrome P450cam | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, NITRIC OXIDE, ... | | Authors: | Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L. | | Deposit date: | 2012-07-15 | | Release date: | 2012-08-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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4GL5
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4G2G
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol | | Descriptor: | 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... | | Authors: | Hudson, S.A. | | Deposit date: | 2012-07-12 | | Release date: | 2012-09-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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4G7G
 | | Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [VNI/VNF (VFV)] | | Descriptor: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase | | Authors: | Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I. | | Deposit date: | 2012-07-20 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
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6MCW
 | | 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
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6NBL
 | | Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide | | Descriptor: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, CAMPHOR, ... | | Authors: | Follmer, A.H, Tripathi, S.M, Poulos, T.L. | | Deposit date: | 2018-12-07 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Ligand and Redox Partner Binding Generates a New Conformational State in Cytochrome P450cam (CYP101A1).
J. Am. Chem. Soc., 141, 2019
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1BVY
 | | COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3) | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, PROTEIN (CYTOCHROME P450 BM-3), ... | | Authors: | Sevrioukova, I.F, Li, H, Zhang, H, Peterson, J.A, Poulos, T.L. | | Deposit date: | 1998-09-21 | | Release date: | 1999-02-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure of a cytochrome P450-redox partner electron-transfer complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
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2M56
 | | The structure of the complex of cytochrome P450cam and its electron donor putidaredoxin determined by paramagnetic NMR spectroscopy | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Hiruma, Y, Hass, M.A.S, Ubbink, M. | | Deposit date: | 2013-02-14 | | Release date: | 2013-08-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The structure of the cytochrome p450cam-putidaredoxin complex determined by paramagnetic NMR spectroscopy and crystallography.
J.Mol.Biol., 425, 2013
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