1K2O
 
 | | Cytochrome P450Cam with Bound BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II) | | Descriptor: | CACODYLATE ION, Cytochrome P450CAM, DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II), ... | | Authors: | Dunn, A.R, Dmochowski, I.J, Bilwes, A.M, Gray, H.B, Crane, B.R. | | Deposit date: | 2001-09-28 | | Release date: | 2001-10-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Probing the open state of cytochrome P450cam with ruthenium-linker substrates.
Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
6F0B
 | |
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
|
|
6F8C
 | |
1RE9
 | | CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM WITH A FLUORESCENT PROBE D-8-AD (ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE) | | Descriptor: | 1,2-ETHANEDIOL, ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, ... | | Authors: | Hays, A.-M.A, Dunn, A.R, Gray, H.B, Stout, C.D, Goodin, D.B. | | Deposit date: | 2003-11-06 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Conformational states of cytochrome P450cam revealed by trapping of synthetic molecular wires.
J.Mol.Biol., 344, 2004
|
|
7KCS
 | | The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4 | | Descriptor: | 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Coleman, T, Bruning, J.B, Bell, S.G. | | Deposit date: | 2020-10-07 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.773 Å) | | Cite: | Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme
Acs Catalysis, 11, 2021
|
|
1JIN
 | | P450eryF/ketoconazole | | Descriptor: | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, 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 (2.3 Å) | | Cite: | Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
|
|
1JPZ
 | | Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine | | Descriptor: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A. | | Deposit date: | 2001-08-03 | | Release date: | 2001-11-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Pivotal role of water in the mechanism of P450BM-3.
Biochemistry, 40, 2001
|
|
1S1F
 | | Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways | | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, GLYCEROL, MALONIC ACID, ... | | Authors: | Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R. | | Deposit date: | 2004-01-06 | | Release date: | 2005-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2
J.Biol.Chem., 280, 2005
|
|
6F85
 | |
6F8A
 | |
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
|
|
1UE8
 | | Crystal Structure of Thermophilic Cytochrome P450 from Sulfolobus tokodaii | | Descriptor: | 367aa long hypothetical cytochrome P450, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nakamura, N, Kamitori, S, Ohno, H. | | Deposit date: | 2003-05-09 | | Release date: | 2004-07-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and direct electrochemistry of cytochrome P450 from the thermoacidophilic crenarchaeon, Sulfolobus tokodaii strain 7
J.Inorg.Biochem., 98, 2004
|
|
1GWI
 | | The 1.92 A structure of Streptomyces coelicolor A3(2) CYP154C1: A new monooxygenase that functionalizes macrolide ring systems | | Descriptor: | CYTOCHROME P450 154C1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Podust, L.M, Kim, Y, Arase, M, Neely, B.A, Beck, B.J, Bach, H, Sherman, D.H, Lamb, D.C, Kelly, S.L, Waterman, M.R. | | Deposit date: | 2002-03-15 | | Release date: | 2003-01-29 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The 1.92 A Structure of Streptomyces Coelicolor A3(2) Cyp154C1: A New Monooxygenase that Functionalizes Macrolide Ring Systems
J.Biol.Chem., 278, 2003
|
|
6DWN
 | | Structure of Human Cytochrome P450 1A1 with Erlotinib | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bart, A.G, Scott, E.E. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
|
|
7LAD
 | | Clobetasol propionate bound to CYP3A5 | | Descriptor: | Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. | | Deposit date: | 2021-01-06 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5.
J.Am.Chem.Soc., 143, 2021
|
|
6G5O
 | | The structure of a carbohydrate active P450 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Robb, C.S, Hehemann, J.H. | | Deposit date: | 2018-03-29 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases.
Biochem. J., 475, 2018
|
|
1JFC
 | | X-ray structure of nitric oxide reductase (cytochrome P450nor) in the ferrous CO state at atomic resolution | | Descriptor: | CARBON MONOXIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 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 (1.05 Å) | | Cite: | X-ray structure of nitric oxide reductase (cytochrome P450nor) at atomic resolution.
Acta Crystallogr.,Sect.D, 58, 2002
|
|
1JIP
 | | P450eryF(A245S)/ketoconazole | | Descriptor: | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, 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 Å) | | Cite: | Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
|
|
1ROM
 | |
6FSH
 | | Crystal structure of hybrid P450 OxyBtei(BC/FGvan) | | Descriptor: | ACETATE ION, OxyB protein, POTASSIUM ION, ... | | Authors: | Brieke, C, Tarnawski, M, Greule, A, Cryle, M.J. | | Deposit date: | 2018-02-19 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Investigating Cytochrome P450 specificity during glycopeptide antibiotic biosynthesis through a homologue hybridization approach.
J. Inorg. Biochem., 185, 2018
|
|
7LES
 | | Acanthamoeba castellanii CYP51 (AcCYP51)-Imidazole complex | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, IMIDAZOLE, ... | | Authors: | Sharma, V, Podust, L.M. | | Deposit date: | 2021-01-15 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Homodimerization Counteracts the Detrimental Effect of Nitrogenous Heme Ligands on the Enzymatic Activity of Acanthamoeba castellanii CYP51.
Biochemistry, 61, 2022
|
|
7KSA
 | | Crystal structure of human CYP3A4 with the caged inhibitor | | Descriptor: | (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.S. | | Deposit date: | 2020-11-21 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4.
J.Am.Chem.Soc., 143, 2021
|
|
7KS8
 | | Crystal structure of human CYP3A4 with the caged inhibitor | | Descriptor: | (tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappaN)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, GLYCEROL, ... | | Authors: | Sevrioukova, I.S. | | Deposit date: | 2020-11-21 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4.
J.Am.Chem.Soc., 143, 2021
|
|
1SUO
 | | Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | | Deposit date: | 2004-03-26 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding.
J.Biol.Chem., 279, 2004
|
|
