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8D1C
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BU of 8d1c by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-(Trifluoromethoxy)benzoic acid
Descriptor: 4-(trifluoromethoxy)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Lee, J.H.Z, Bruning, J.B, Bell, S.G.
Deposit date:2022-05-27
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selective Oxidations Using a Cytochrome P450 Enzyme Variant Driven with Surrogate Oxygen Donors and Light.
Chemistry, 28, 2022
8GLZ
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BU of 8glz by Molmil
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
8GM2
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BU of 8gm2 by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 2 mM hydrogen peroxide
Descriptor: 4-METHOXYBENZOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, J.H.Z, Bruning, J.B, Bell, S.G.
Deposit date:2023-03-24
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
8GM1
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BU of 8gm1 by Molmil
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
8GLY
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BU of 8gly by Molmil
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
7JW5
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BU of 7jw5 by Molmil
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
8G36
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BU of 8g36 by Molmil
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
8G35
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BU of 8g35 by Molmil
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
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
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
7UDF
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BU of 7udf by Molmil
The crystal structure of F298V CYP199A4 bound to 4-n-propylbenzoic acid
Descriptor: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-03-18
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation.
Chem Asian J, 17, 2022
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
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
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
8E5J
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BU of 8e5j by Molmil
The crystal structure of 4-n-butylbenzoic acid bound CYP199A4
Descriptor: 4-butylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Doherty, D.Z, Bell, S.G, Bruning, J.B.
Deposit date:2022-08-22
Release date:2023-08-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation.
Chem Asian J, 17, 2022

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