3SWZ
 
 | | Human Cytochrome P450 17A1 in complex with TOK-001 | | Descriptor: | (3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-14 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
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3T3Z
 | | Human Cytochrome P450 2E1 in complex with pilocarpine | | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Meneely, K.M, DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
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1IO8
 | | Thermophilic cytochrome P450 (CYP119) from sulfolobus solfataricus: High resolution structural origin of its thermostability and functional properties | | Descriptor: | CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-02-08 | | Release date: | 2001-03-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties
J.Inorg.Biochem., 91, 2002
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1IO9
 | | THERMOPHILIC CYTOCHROME P450 (CYP119) FROM SULFOLOBUS SOLFATARICUS: HIGH RESOLUTION STRUCTURAL ORIGIN OF ITS THERMOSTABILITY AND FUNCTIONAL PROPERTIES | | Descriptor: | CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-02-08 | | Release date: | 2001-03-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties.
J.Inorg.Biochem., 91, 2002
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3TDA
 | | Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 | | Descriptor: | Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ... | | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | | Deposit date: | 2011-08-10 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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3T3R
 | | Human Cytochrome P450 2A6 in complex with Pilocarpine | | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
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2FRZ
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3T3Q
 | | Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine | | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
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1IWI
 | | Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Cytochrome P450cam | | Descriptor: | CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-05-15 | | Release date: | 2002-06-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam
Biochemistry, 42, 2003
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3HF2
 | | Crystal structure of the I401P mutant of cytochrome P450 BM3 | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z. | | Deposit date: | 2009-05-10 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Highly Active Single-Mutation Variant of P450(BM3) (CYP102A1)
Chembiochem, 10, 2009
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1IWJ
 | | Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Mutant(109K) Cytochrome P450cam | | Descriptor: | CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-05-15 | | Release date: | 2002-06-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam
Biochemistry, 42, 2003
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1J51
 | | CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F/V247L/C334A) WITH 1,3,5-TRICHLOROBENZENE | | Descriptor: | 1,3,5-TRICHLORO-BENZENE, CYTOCHROME P450CAM, POTASSIUM ION, ... | | Authors: | Chen, X, Christopher, A, Jones, J, Guo, Q, Xu, F, Cao, R, Wong, L.L, Rao, Z. | | Deposit date: | 2002-01-05 | | Release date: | 2002-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the F87W/Y96F/V247L mutant of cytochrome P-450cam with 1,3,5-trichlorobenzene bound and further protein engineering for the oxidation of pentachlorobenzene and hexachlorobenzene
J.BIOL.CHEM., 277, 2002
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3TBG
 | | Human cytochrome P450 2D6 with two thioridazines bound in active site | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ... | | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | | Deposit date: | 2011-08-05 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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1IWK
 | | Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Mutant(112K) Cytochrome P450cam | | Descriptor: | CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-05-15 | | Release date: | 2002-06-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam
Biochemistry, 42, 2003
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2GR6
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1IZO
 | | Cytochrome P450 BS beta Complexed with Fatty Acid | | Descriptor: | Cytochrome P450 152A1, PALMITOLEIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lee, D.S, Yamada, A, Sugimoto, H, Matsunaga, I, Ogura, H, Ichihara, K, Adachi, S, Park, S.Y, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-10-10 | | Release date: | 2003-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substrate Recognition and Molecular Mechanism of Fatty Acid Hydroxylation by Cytochrome P450 from Bacillus subtilis. CRYSTALLOGRAPHIC, SPECTROSCOPIC, AND MUTATIONAL STUDIES.
J.Biol.Chem., 278, 2003
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1IO7
 | | THERMOPHILIC CYTOCHROME P450 (CYP119) FROM SULFOLOBUS SOLFATARICUS: HIGH RESOLUTION STRUCTURAL ORIGIN OF ITS THERMOSTABILITY AND FUNCTIONAL PROPERTIES | | Descriptor: | CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-02-08 | | Release date: | 2001-02-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties.
J.Inorg.Biochem., 91, 2002
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2GQX
 | | Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) with pentachlorobenzene | | Descriptor: | 1,2,3,4,5-PENTACHLOROBENZENE, Cytochrome P450-cam, POTASSIUM ION, ... | | Authors: | Rao, Z, Wong, L.L, Xu, F, Bell, S.G. | | Deposit date: | 2006-04-22 | | Release date: | 2007-04-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-activity correlations in pentachlorobenzene oxidation by engineered cytochrome P450cam
Protein Eng.Des.Sel., 20, 2007
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3TZO
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3UA1
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3UAS
 | | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | | Deposit date: | 2011-10-21 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.939 Å) | | Cite: | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
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3TIK
 | | Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one | | Descriptor: | 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha demethylase (CYP51) | | Authors: | Hargrove, T.Y, Wawrzak, Z, Kraus, J.M, Gelb, M.H, Buckner, F.S, Waterman, M.R, Lepesheva, G.I. | | Deposit date: | 2011-08-20 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib.
Antimicrob.Agents Chemother., 56, 2012
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1JFB
 | | X-ray structure of nitric oxide reductase (cytochrome P450nor) in the ferric resting state at atomic resolution | | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, nitric-oxide reductase cytochrome P450 55A1 | | Authors: | Shimizu, H, Adachi, S, Park, S.Y, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-06-20 | | Release date: | 2001-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray structure of nitric oxide reductase (cytochrome P450nor) at atomic resolution.
Acta Crystallogr.,Sect.D, 58, 2002
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2H7Q
 | | Cytochrome P450cam complexed with imidazole | | Descriptor: | Cytochrome P450-cam, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Verras, A, Alian, A, Montellano, P.R. | | Deposit date: | 2006-06-02 | | Release date: | 2006-10-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cytochrome P450 active site plasticity: attenuation of imidazole binding in cytochrome P450cam by an L244A mutation.
Protein Eng.Des.Sel., 19, 2006
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1JIO
 | | P450eryF/6DEB | | Descriptor: | 6-DEOXYERYTHRONOLIDE B, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K. | | Deposit date: | 2001-07-02 | | Release date: | 2001-10-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
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