7EGN
 
 | | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2021-03-24 | | Release date: | 2021-08-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | H-Bonding Networks Dictate the Molecular Mechanism of H2O2 Activation by P450
Acs Catalysis, 11, 2021
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7E7F
 | | Human CYP11B1 mutant in complex with metyrapone | | Descriptor: | CHOLIC ACID, Cytochrome P450 11B1, mitochondrial, ... | | Authors: | Mukai, K, Sugimoto, H, Reiko, S, Matsuura, T, Hishiki, T, Kagawa, N. | | Deposit date: | 2021-02-26 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Spatially restricted substrate-binding site of cortisol-synthesizing CYP11B1 limits multiple hydroxylations and hinders aldosterone synthesis.
Curr Res Struct Biol, 3, 2021
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7E46
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5FOI
 | | Crystal structure of mycinamicin VIII C21 methyl hydroxylase MycCI from Micromonospora griseorubida bound to mycinamicin VIII | | Descriptor: | GLYCEROL, MYCINAMICIN VIII C21 METHYL HYDROXYLASE, Mycinamicin VIII, ... | | Authors: | Demars, M, Sheng, F, Podust, L.M, Sherman, D.H. | | Deposit date: | 2015-11-22 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Biochemical and Structural Characterization of Mycci, a Versatile P450 Biocatalyst from the Mycinamicin Biosynthetic Pathway.
Acs Chem.Biol., 11, 2016
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2FDV
 | | Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 2A6, N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, ... | | Authors: | Yano, J.K, Stout, C.D, Johnson, E.F. | | Deposit date: | 2005-12-14 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
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2F9Q
 | | Crystal Structure of Human Cytochrome P450 2D6 | | Descriptor: | Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Rowland, P. | | Deposit date: | 2005-12-06 | | Release date: | 2005-12-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Crystal Structure of Human Cytochrome P450 2D6
J.Biol.Chem., 281, 2006
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8GLZ
 | | Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide | | Descriptor: | CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ... | | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | Deposit date: | 2023-03-23 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
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8GM2
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8GLY
 | | Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid | | Descriptor: | CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ... | | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | Deposit date: | 2023-03-23 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
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8GM1
 | | Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 1 mM hydrogen peroxide | | Descriptor: | 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | Deposit date: | 2023-03-24 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
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2H7R
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5GNL
 | | Cytochrome P450 Vdh (CYP107BR1) F106V mutant | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase | | Authors: | Yasutake, Y, Tamura, T. | | Deposit date: | 2016-07-22 | | Release date: | 2017-05-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site
Acta Crystallogr F Struct Biol Commun, 73, 2017
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2HI4
 | | Crystal Structure of Human Microsomal P450 1A2 in complex with alpha-naphthoflavone | | Descriptor: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1A2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sansen, S, Yano, J.K, Reynald, R.L, Schoch, G.S, Stout, C.D, Johnson, E.F. | | Deposit date: | 2006-06-29 | | Release date: | 2007-02-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Adaptations for the oxidation of polycyclic aromatic hydrocarbons exhibited by the structure of human P450 1A2.
J.Biol.Chem., 282, 2007
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5G5J
 | | Crystal structure of human CYP3A4 bound to metformin | | Descriptor: | CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I. | | Deposit date: | 2016-05-25 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
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5GWE
 | | cytochrome P450 CREJ | | Descriptor: | (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Dong, S, liu, X, Wang, X, Feng, Y. | | Deposit date: | 2016-09-11 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5H1Z
 | | CYP153D17 from Sphingomonas sp. PAMC 26605 | | Descriptor: | DODECANE, PROTOPORPHYRIN IX CONTAINING FE, putative CYP alkane hydroxylase CYP153D17 | | Authors: | Lee, C.W, Lee, J.H. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of a Putative Cytochrome P450 Alkane Hydroxylase (CYP153D17) from Sphingomonas sp. PAMC 26605 and Its Conformational Substrate Binding
Int J Mol Sci, 17, 2016
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8HNZ
 | | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP | | Descriptor: | (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8HO0
 | | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP | | Descriptor: | (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8HO1
 | | Crystal structure of cytochrome P450 NasF5053 mutant F387G | | Descriptor: | CALCIUM ION, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8HKJ
 | | Crystal structure of the CYP102A5 haem Domain isolated from Bacillus cereus | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Stanfield, J.K, Onoda, H, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-11-27 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Investigating the applicability of the CYP102A1-decoy-molecule system to other members of the CYP102A subfamily.
J.Inorg.Biochem., 245, 2023
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8HNY
 | | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP | | Descriptor: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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2IAG
 | | Crystal structure of human prostacyclin synthase | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, SODIUM ION | | Authors: | Chiang, C.-W, Yeh, H.-C, Wang, L.-H, Chan, N.-L. | | Deposit date: | 2006-09-08 | | Release date: | 2006-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structure of the Human Prostacyclin Synthase
J.Mol.Biol., 364, 2006
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8HGC
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8HGT
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2HPD
 | | CRYSTAL STRUCTURE OF HEMOPROTEIN DOMAIN OF P450BM-3, A PROTOTYPE FOR MICROSOMAL P450'S | | Descriptor: | CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ravichandran, K.G, Boddupalli, S.S, Hasemann, C.A, Peterson, J.A, Deisenhofer, J. | | Deposit date: | 1993-09-16 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of hemoprotein domain of P450BM-3, a prototype for microsomal P450's.
Science, 261, 1993
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