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PDB: 388 results

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
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
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
6UNN
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BU of 6unn by Molmil
The crystal structure of 4-methoxycinnamic acid-bound CYP199A4
Descriptor: (E)-3-(4-methoxyphenyl)acrylic acid, CHLORIDE ION, CYP199A4, ...
Authors:Doherty, Z.D, Bell, S.G, Bruning, J.
Deposit date:2019-10-13
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:The crystal structure of 4-methoxycinnamic acid-bound CYP199A4
To Be Published
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
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
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
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
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
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
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
4V8S
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BU of 4v8s by Molmil
Archaeal RNAP-DNA binary complex at 4.32Ang
Descriptor: 5'-D(*AP*TP*AP*GP*AP*GP*TP*AP*TP*AP*AP*GP*AP*TP *AP*G)-3', 5'-D(*TP*CP*TP*TP*AP*TP*AP*CP*TP*CP*TP*AP*TP*CP)-3', DNA-DIRECTED RNA POLYMERASE, ...
Authors:Wojtas, M.N, Mogni, M, Millet, O, Bell, S.D, Abrescia, N.G.A.
Deposit date:2012-07-12
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.323 Å)
Cite:Structural and Functional Analyses of the Interaction of Archaeal RNA Polymerase with DNA.
Nucleic Acids Res., 40, 2012
8DYB
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BU of 8dyb by Molmil
The crystal structure of the T252A mutant of CYP199A4 bound to 4-methylthiobenzoic acid
Descriptor: 4-methylsulfanylbenzoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Coleman, T, Bell, S.G.
Deposit date:2022-08-03
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 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
8FLO
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BU of 8flo by Molmil
X-ray crystal structure of substrate free CYP124A1 from Mycobacterium Marinum
Descriptor: Cytochrome P450 124A1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Ghith, A, Bruning, J.B, Bell, S.G.
Deposit date:2022-12-22
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 2023
8FJO
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BU of 8fjo by Molmil
X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with farnesyl acetate
Descriptor: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate, AMMONIUM ION, Cytochrome P450 124A1, ...
Authors:Ghith, A, Bruning, J.B, Bell, S.G.
Deposit date:2022-12-20
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 2023
8FKB
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BU of 8fkb by Molmil
X-ray crystal structure of CYP124A1 from Mycobacterium Marinum bound to Farnesol
Descriptor: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, Cytochrome P450 124A1, DI(HYDROXYETHYL)ETHER, ...
Authors:Ghith, A, Bruning, J.B, Bell, S.G.
Deposit date:2022-12-21
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 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
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
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
8SWL
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BU of 8swl by Molmil
Substrate free structure of cytochrome P450 CYP105Q4 from mycobacterium marinum
Descriptor: Cytochrome P450 105Q4 Cyp105Q4, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2023-05-19
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural determination and characterisation of the CYP105Q4 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 754, 2024
8GDI
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BU of 8gdi by Molmil
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
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
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

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PDB entries from 2024-10-09

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