3HUI
 
 | | Crystal Structure of the mutant A105R of [2Fe-2S] Ferredoxin in the Class I CYP199A2 System from Rhodopseudomonas palustris | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Ferredoxin | | Authors: | Bell, S.G, Xu, F, Rao, Z, Wong, L.-L. | | Deposit date: | 2009-06-14 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Protein recognition in ferredoxin-P450 electron transfer in the class I CYP199A2 system from Rhodopseudomonas palustris
J.Biol.Inorg.Chem., 15, 2010
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1MPW
 | | Molecular Recognition in (+)-a-Pinene Oxidation by Cytochrome P450cam | | Descriptor: | (+)-alpha-Pinene, CYTOCHROME P450CAM, POTASSIUM ION, ... | | Authors: | Bell, S.G, Chen, X, Sowden, R.J, Xu, F, Willams, J.N, Wong, L.-L, Rao, Z. | | Deposit date: | 2002-09-13 | | Release date: | 2002-10-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Molecular recognition in (+)-alpha-pinene oxidation by cytochrome P450cam
J.Am.Chem.Soc., 125, 2003
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4ID8
 | | The crystal structure of a [3Fe-4S] ferredoxin associated with CYP194A4 from R. palustris HaA2 | | Descriptor: | FE3-S4 CLUSTER, Putative ferredoxin | | Authors: | Zhou, W.H, Zhang, T, Zhang, A.L, Bell, S.G, Wong, L.-L. | | Deposit date: | 2012-12-11 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The structure of a novel electron-transfer ferredoxin from Rhodopseudomonas palustris HaA2 which contains a histidine residue in its iron-sulfur cluster-binding motif.
Acta Crystallogr.,Sect.D, 70, 2014
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5KDY
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8U09
 | | Crystal structure of substrate-free SyoA | | Descriptor: | ACETATE ION, Cytochrome P450, GLYCEROL, ... | | Authors: | Harlington, A.H, Shearwin, K.E, Bell, S.G, Whelan, F. | | Deposit date: | 2023-08-28 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural insights into the S-lignin O-demethylase SyoA
To Be Published
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8U1I
 | | Crystal structure of SyoA bound to 4-methylsyringol | | Descriptor: | 2,6-dimethoxy-4-methylphenol, Cytochrome P450, NITRATE ION, ... | | Authors: | Harlington, A.C, Shearwin, K.E, Bell, S.G, Whelan, F. | | Deposit date: | 2023-09-01 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structural insights into the S-lignin O-demethylase SyoA
To Be Published
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8U19
 | | Crystal structure of SyoA bound to syringol | | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, MAGNESIUM ION, ... | | Authors: | Harlington, A.C, Shearwin, K.E, Bell, S.G, Whelan, F. | | Deposit date: | 2023-08-31 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structural insights into the S-lignin O-demethylase SyoA
To Be Published
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5UVB
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8GDI
 | | X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with 7-ketocholesterol | | Descriptor: | (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cytochrome P450 124A1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ghith, A, Bruning, J.B, Bell, S.G. | | Deposit date: | 2023-03-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The oxidation of cholesterol derivatives by the CYP124 and CYP142 enzymes from Mycobacterium marinum.
J.Steroid Biochem.Mol.Biol., 231, 2023
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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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8G36
 | | Crystal structure of F182L-CYP199A4 in complex with terephthalic acid | | Descriptor: | CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | Deposit date: | 2023-02-06 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme.
J.Am.Chem.Soc., 145, 2023
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8G35
 | | Crystal structure of F182L-CYP199A4 in complex with (S)-4-(2-hydroxy-3-oxobutan-2-yl)benzoic acid | | Descriptor: | 4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Lee, J.H.Z, Bell, S.G, Bruning, J.B. | | Deposit date: | 2023-02-06 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme.
J.Am.Chem.Soc., 145, 2023
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6WZP
 | | The crystal structure of 4-vinylbenzoate-bound T252A mutant CYP199A4 | | Descriptor: | 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Coleman, T, Bruning, J.B, Bell, S.G. | | Deposit date: | 2020-05-14 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme
Acs Catalysis, 11, 2021
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6PRR
 | | The crystal structure of 3-methylaminobenzoate-bound CYP199A4 | | Descriptor: | 3-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | Deposit date: | 2019-07-11 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PQ6
 | | The crystal structure of 3-methoxybenzoate-bound CYP199A4 | | Descriptor: | 3-methoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Podgorski, M.N, Bell, S.G, Bruning, J.B. | | Deposit date: | 2019-07-08 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.658 Å) | | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PQS
 | | The crystal structure of 4-methylbenzoate-bound CYP199A4 | | Descriptor: | 4-METHYLBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | Deposit date: | 2019-07-10 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PRS
 | | The crystal structure of 3-ethoxybenzoate-bound CYP199A4 | | Descriptor: | 3-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | Deposit date: | 2019-07-11 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.373 Å) | | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PQD
 | | The crystal structure of 3-methylthiobenzoate-bound CYP199A4 | | Descriptor: | 3-(methylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | Deposit date: | 2019-07-09 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PQW
 | | The crystal structure of 3-methylbenzoate-bound CYP199A4 | | Descriptor: | 3-methylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | Deposit date: | 2019-07-10 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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7JXB
 | | The crystal structure of 4-(3'-methoxyphenyl)benzoic acid-bound CYP199A4 | | Descriptor: | 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Doherty, D.Z, Bell, S.G, Bruning, J. | | Deposit date: | 2020-08-27 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.655 Å) | | Cite: | Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
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7JW5
 | | Crystal structure of WT-CYP199A4 in complex with 4-phenylbenzoic acid | | Descriptor: | CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | Deposit date: | 2020-08-24 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.526 Å) | | Cite: | Different Geometric Requirements for Cytochrome P450-Catalyzed Aliphatic Versus Aromatic Hydroxylation Results in Chemoselective Oxidation
Acs Catalysis, 12, 2022
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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
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