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PDB: 32 results
7REH
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BU of 7reh by Molmil
Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid
Descriptor: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2021-07-12
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.545 Å)
Cite:An Altered Heme Environment in an Engineered Cytochrome P450 Enzyme Enables the Switch from Monooxygenase to Peroxygenase Activity
Acs Catalysis, 2022
7N14
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BU of 7n14 by Molmil
Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4
Descriptor: 4-(1H-1,2,4-triazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2021-05-26
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.537 Å)
Cite:To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme.
Inorg.Chem., 61, 2022
8D39
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BU of 8d39 by Molmil
The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid
Descriptor: 4-benzoylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-06-01
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.268 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7R8S
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BU of 7r8s by Molmil
The crystal structure of CYP199A4 bound to 4-n-propylbenzoic acid
Descriptor: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.366 Å)
Cite:Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation.
Chem Asian J, 17, 2022
7R8T
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BU of 7r8t by Molmil
High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid
Descriptor: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.366 Å)
Cite:High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid
To Be Published
6U3K
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BU of 6u3k by Molmil
The crystal structure of 4-(pyridin-2-yl)benzoate-bound CYP199A4
Descriptor: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-08-21
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases.
Biochemistry, 59, 2020
6U30
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BU of 6u30 by Molmil
The crystal structure of 4-pyridin-3-ylbenzoate-bound CYP199A4
Descriptor: 4-(pyridin-3-yl)benzoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-08-21
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases.
Biochemistry, 59, 2020
6U31
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BU of 6u31 by Molmil
The crystal structure of 4-(1H-imidazol-1-yl)benzoate-bound CYP199A4
Descriptor: 4-(1H-imidazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-08-21
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme.
Inorg.Chem., 61, 2022
8TAY
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BU of 8tay by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid
Descriptor: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.021 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TAW
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BU of 8taw by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid
Descriptor: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TNK
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BU of 8tnk by Molmil
The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid
Descriptor: 4-benzylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-08-02
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8VF0
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BU of 8vf0 by Molmil
The crystal structure of QE CYP199A4 bound to 4-methoxybenzoic acid
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450 enzyme (CYP199A4), ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-12-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.028 Å)
Cite:Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region
Acs Catalysis, 2024
8VFP
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BU of 8vfp by Molmil
The crystal structure of GALQE CYP199A4 bound to 4-methylbenzoic acid
Descriptor: 4-METHYLBENZOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-12-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region
Acs Catalysis, 2024
8VL0
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BU of 8vl0 by Molmil
The crystal structure of wild-type CYP199A4 bound to 4-(2-oxopropyl)benzoic acid
Descriptor: 4-(2-oxopropyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2024-01-11
Release date:2024-05-08
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:Selective alpha-Hydroxyketone Formation and Subsequent C-C Bond Cleavage by Cytochrome P450 Monooxygenase Enzymes
Acs Catalysis, 14, 2024
8VFR
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BU of 8vfr by Molmil
The crystal structure of 4-methylbenzoic acid-bound GALQE CYP199A4 after soaking in 10 mM H2O2 for 5 minutes
Descriptor: 4-(hydroxymethyl)benzoic acid, 4-METHYLBENZOIC ACID, CHLORIDE ION, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-12-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.018 Å)
Cite:Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region
Acs Catalysis, 2024
8VF3
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BU of 8vf3 by Molmil
The crystal structure of GALQE CYP199A4 bound to 4-methoxybenzoic acid
Descriptor: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-12-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.469 Å)
Cite:Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region
Acs Catalysis, 2024
8VKF
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BU of 8vkf by Molmil
The crystal structure of wild-type CYP199A4 bound to 4-propionylbenzoic acid
Descriptor: 4-propanoylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2024-01-09
Release date:2024-05-08
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective alpha-Hydroxyketone Formation and Subsequent C-C Bond Cleavage by Cytochrome P450 Monooxygenase Enzymes
Acs Catalysis, 14, 2024
6PRR
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BU of 6prr by Molmil
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
6PQ6
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BU of 6pq6 by Molmil
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
6PQS
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BU of 6pqs by Molmil
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
6PRS
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BU of 6prs by Molmil
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
6PQD
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BU of 6pqd by Molmil
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
6PQW
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BU of 6pqw by Molmil
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
7TZM
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BU of 7tzm by Molmil
The crystal structure of WT CYP199A4 bound to 4-iodobenzoic acid
Descriptor: 4-iodobenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-02-16
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.524 Å)
Cite:Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7TZY
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BU of 7tzy by Molmil
The crystal structure of WT CYP199A4 bound to 4-(2-bromoethyl)benzoic acid
Descriptor: 4-(2-bromoethyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-02-16
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023

 

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