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2NNJ
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BU of 2nnj by Molmil
CYP2C8dH complexed with felodipine
Descriptor: Cytochrome P450 2C8, FELODIPINE, PALMITIC ACID, ...
Authors:Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F.
Deposit date:2006-10-24
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J.Biol.Chem., 283, 2008
6F0C
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BU of 6f0c by Molmil
Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
Descriptor: (3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione, Cytochrome P450 monooxygenase, OXYGEN MOLECULE, ...
Authors:Fulop, V.
Deposit date:2017-11-17
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC.
J.Am.Chem.Soc., 141, 2019
2NNB
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BU of 2nnb by Molmil
The Q403K mutant heme domain of flavocytochrome P450 BM3
Descriptor: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Clark, J.P, Anderson, J.L.R, Miles, C.S, Mowat, C.G, Reid, G.A, Chapman, S.K.
Deposit date:2006-10-24
Release date:2007-09-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Q403K mutant heme domain of flavocytochrome P450 BM3
To be published
8JNC
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Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin
Descriptor: (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JOO
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BU of 8joo by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin
Descriptor: (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-08
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
6F0B
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BU of 6f0b by Molmil
Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
Descriptor: (3~{S},6~{S})-1,4-dimethyl-3-[(4-nitro-1~{H}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione, Cytochrome P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fulop, V.
Deposit date:2017-11-17
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC.
J.Am.Chem.Soc., 141, 2019
8JNO
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BU of 8jno by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF
Descriptor: (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
6F8C
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BU of 6f8c by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with progesterone
Descriptor: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2017-12-12
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
1U13
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BU of 1u13 by Molmil
Crystal structure analysis of the C37L/C151T/C442A-triple mutant of CYP51 from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Yermalitskaya, L.V, Kim, Y, Waterman, M.R.
Deposit date:2004-07-14
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure analysis of the C37L/C151T/C442A-triple mutant of CYP51 from Mycobacterium tuberculosis
To be published
6F8A
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BU of 6f8a by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine
Descriptor: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2017-12-12
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
6F85
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BU of 6f85 by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with histidine
Descriptor: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2017-12-12
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
2PG5
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BU of 2pg5 by Molmil
Crystal Structure of Human Microsomal P450 2A6 N297Q
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F.
Deposit date:2007-04-06
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
8JC4
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BU of 8jc4 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-Phe and hydroxylamine
Descriptor: 1-pyridin-4-ylpiperidine-4-carboxylic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2023-05-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
8JC3
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BU of 8jc3 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine
Descriptor: 4-(pyridin-4-ylamino)butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2023-05-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
8JUA
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BU of 8jua by Molmil
Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin
Descriptor: (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-26
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.00001121 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
2NZ5
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BU of 2nz5 by Molmil
Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
Descriptor: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE, naphthalene-1,2,4,5,7-pentol
Authors:Zhao, B, Lamb, D.C, Kelly, S.L, Waterman, M.R.
Deposit date:2006-11-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
6G5O
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BU of 6g5o by Molmil
The structure of a carbohydrate active P450
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Robb, C.S, Hehemann, J.H.
Deposit date:2018-03-29
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases.
Biochem. J., 475, 2018
1S1F
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BU of 1s1f by Molmil
Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
Descriptor: 4-PHENYL-1H-IMIDAZOLE, GLYCEROL, MALONIC ACID, ...
Authors:Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
Deposit date:2004-01-06
Release date:2005-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2
J.Biol.Chem., 280, 2005
6FSH
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BU of 6fsh by Molmil
Crystal structure of hybrid P450 OxyBtei(BC/FGvan)
Descriptor: ACETATE ION, OxyB protein, POTASSIUM ION, ...
Authors:Brieke, C, Tarnawski, M, Greule, A, Cryle, M.J.
Deposit date:2018-02-19
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Investigating Cytochrome P450 specificity during glycopeptide antibiotic biosynthesis through a homologue hybridization approach.
J. Inorg. Biochem., 185, 2018
2P85
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BU of 2p85 by Molmil
Structure of Human Lung Cytochrome P450 2A13 with indole bound in two alternate conformations
Descriptor: Cytochrome P450 2A13, INDOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, Stout, C.D.
Deposit date:2007-03-21
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the human lung cytochrome P450 2A13.
J.Biol.Chem., 282, 2007
6FYJ
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BU of 6fyj by Molmil
Cytochrome P450 peroxygenase CYP152K6 in complex with Myristic Acid
Descriptor: DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, MYRISTIC ACID, ...
Authors:Girvan, H.M, Poddar, H, Mclean, K.J, Leys, D, Munro, A.W.
Deposit date:2018-03-12
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and catalytic properties of the peroxygenase P450 enzyme CYP152K6 from Bacillus methanolicus.
J. Inorg. Biochem., 188, 2018
1T2B
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BU of 1t2b by Molmil
Crystal Structure of cytochrome P450cin complexed with its substrate 1,8-cineole
Descriptor: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Meharenna, Y.T, Li, H, Hawkes, D.B, Pearson, A.G, De Voss, J, Poulos, T.L.
Deposit date:2004-04-20
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of P450cin in a complex with its substrate, 1,8-cineole, a close structural homologue to D-camphor, the substrate for P450cam
Biochemistry, 43, 2004
2Q9F
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Crystal structure of human cytochrome P450 46A1 in complex with cholesterol-3-sulphate
Descriptor: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Cytochrome P450 46A1, GLYCEROL, ...
Authors:White, M.A, Mast, N.V, Johnson, E.F, Stout, C.D, Pikuleva, I.A.
Deposit date:2007-06-12
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2PG6
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BU of 2pg6 by Molmil
Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q
Descriptor: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F.
Deposit date:2007-04-06
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
6GEO
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BU of 6geo by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 10j
Descriptor: 2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2018-04-27
Release date:2019-08-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors.
Chemistryopen, 8, 2019

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