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PDB: 112 results

5KT1
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BU of 5kt1 by Molmil
The crystal structure of 4-methylthiobenzoate-bound CYP199A4
Descriptor: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-07-11
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:The crystal structure of 4-methylthiobenzoate-bound CYP199A4
To Be Published
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
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of wild-type CYP199A4 bound to 4-propionylbenzoic acid
To Be Published
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
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:The crystal structure of wild-type CYP199A4 bound to 4-(2-oxopropyl)benzoic acid
To Be Published
4RM4
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BU of 4rm4 by Molmil
The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhouw, W.H, Zhang, A.L, Zhang, T, Hall, E.A, Hutchinson, S, Cryle, M.J, Wong, L.-L, Bell, S.G.
Deposit date:2014-10-18
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis.
Mol Biosyst, 11, 2015
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
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
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
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
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
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
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
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
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
5U6T
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BU of 5u6t by Molmil
The crystal structure of 4-ethoxybenzoate-bound CYP199A4
Descriptor: 4-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-12-08
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
5U6U
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BU of 5u6u by Molmil
The crystal structure of 4-ethylthiobenzoate-bound CYP199A4
Descriptor: 4-(ethylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-12-08
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
5U6W
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BU of 5u6w by Molmil
The crystal structure of 4-methylaminobenzoate-bound CYP199A4
Descriptor: 4-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-12-09
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
7SMZ
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BU of 7smz by Molmil
X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one
Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ...
Authors:Ghith, A, Bruning, J.B, Bell, S.G.
Deposit date:2021-10-27
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
7SH5
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BU of 7sh5 by Molmil
Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one
Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ...
Authors:Doherty, D.Z, Bell, S.G, Bruning, J.
Deposit date:2021-10-08
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
7TEF
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BU of 7tef by Molmil
Cytochrome P450 14 alpha-sterol demethylase CYP51 from Mycobacterium marinum
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 51B1 Cyp51B1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2022-01-04
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A comparison of the bacterial CYP51 cytochrome P450 enzymes from Mycobacterium marinum and Mycobacterium tuberculosis.
J.Steroid Biochem.Mol.Biol., 221, 2022

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PDB entries from 2024-07-24

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