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4RRT
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BU of 4rrt by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
Descriptor: (+)-3-carene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B.
Deposit date:2014-11-06
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
8U3N
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BU of 8u3n by Molmil
Structure of P450Blt from Micromonospora sp. MW-13
Descriptor: Cytochrome P450-SU1, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hansen, M.H, Cryle, M.J, Zhao, Y.
Deposit date:2023-09-08
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8U2M
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BU of 8u2m by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ACETATE ION, Cytochrome P450-SU1, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-09-06
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
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
4RUI
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BU of 4rui by Molmil
Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.
Descriptor: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, Sabinene
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2014-11-19
Release date:2015-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4TRI
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BU of 4tri by Molmil
X-ray crystal structure of CYP142A2 from Mycobacterium smegmatis, complexed with cholesterol sulfate.
Descriptor: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, GLYCEROL, P450 heme-thiolate protein, ...
Authors:Madrona, Y, Ortiz de Montellano, P.
Deposit date:2014-06-17
Release date:2014-09-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cholesterol ester oxidation by mycobacterial cytochrome p450.
J.Biol.Chem., 289, 2014
4UHL
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BU of 4uhl by Molmil
HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP
Descriptor: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G.
Deposit date:2015-03-24
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
4UAX
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BU of 4uax by Molmil
X-ray crystal structure of ligand free CYP142A2 from Mycobacterium smegmatis
Descriptor: P450 heme-thiolate protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Madrona, Y.
Deposit date:2014-08-11
Release date:2014-09-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Cholesterol ester oxidation by mycobacterial cytochrome p450.
J.Biol.Chem., 289, 2014
4UBS
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BU of 4ubs by Molmil
The crystal structure of cytochrome P450 105D7 from Streptomyces avermitilis in complex with Diclofenac
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Xu, L.H, Ikeda, H, Arakawa, T, Wakagi, T, Shoun, H, Fushinobu, S.
Deposit date:2014-08-13
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the 4'-hydroxylation of diclofenac by a microbial cytochrome P450 monooxygenase.
Appl.Microbiol.Biotechnol., 99, 2015
8Q5J
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BU of 8q5j by Molmil
Cytochrome P450 monooxygenase from Streptomyces scabiei (SscaCYP)
Descriptor: Cytochrome P450 107B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Opperman, D.J, Ebrecht, A.C.
Deposit date:2023-08-09
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Natural alternative heme-environments allow efficient peroxygenase activity by cytochrome P450 monooxygenases
Catalysis Science And Technology, 13, 2023
8QZE
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BU of 8qze by Molmil
Heme-domain BM3 variant 21B3_F87V-A328F
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, IMIDAZOLE, ...
Authors:Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Mol Catal, 557, 2024
8QZF
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BU of 8qzf by Molmil
Heme-domain BM3 mutant T268E
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, DI(HYDROXYETHYL)ETHER, ...
Authors:Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Mol Catal, 557, 2024
4UHI
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BU of 4uhi by Molmil
HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP
Descriptor: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G.
Deposit date:2015-03-24
Release date:2016-06-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
4TVF
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BU of 4tvf by Molmil
OxyB from Actinoplanes teichomyceticus
Descriptor: OxyB, PROTOPORPHYRIN IX CONTAINING FE
Authors:Haslinger, K, Cryle, M.J.
Deposit date:2014-06-26
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cytochrome P450 OxyBtei Catalyzes the First Phenolic Coupling Step in Teicoplanin Biosynthesis.
Chembiochem, 15, 2014
4TUV
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BU of 4tuv by Molmil
X-ray crystal structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 119, PROTOPORPHYRIN IX CONTAINING FE
Authors:Madrona, Y.
Deposit date:2014-06-24
Release date:2015-02-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:NMR and X-ray Analysis of CYP119 Ligand Dependent Conformational Changes.
To Be Published
8SPC
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BU of 8spc by Molmil
Crystal structure of the cytochrome P450 enzyme RufO
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome P450, ...
Authors:Dratch, B.D, Davis, K.M.
Deposit date:2023-05-02
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO.
Acs Chem.Biol., 18, 2023
4UMZ
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BU of 4umz by Molmil
PikC D50N mutant in complex with the engineered substrate mimic bearing a 2-dimethylaminomethylbenzoate group
Descriptor: (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Vieira, D.F.
Deposit date:2014-05-22
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Recognition of Synthetic Substrates by P450 Pikc
To be Published
8UKZ
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BU of 8ukz by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation
Descriptor: ACETATE ION, Cytochrome P450-SU1, DI(HYDROXYETHYL)ETHER, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-10-15
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
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
6WFL
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BU of 6wfl by Molmil
Camphor soaked P450cam D251E
Descriptor: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Amaya, J.A, Poulos, T.L, Batabyal, D.
Deposit date:2020-04-03
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
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
6WPL
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BU of 6wpl by Molmil
Structure of Cytochrome P450tcu
Descriptor: 5-EXO-HYDROXYCAMPHOR, Cytochrome P-450cam, subunit of camphor 5-monooxygenase system, ...
Authors:Murarka, V.C, Batabyal, D, Amaya, J.A, Sevrioukova, I.F, Poulos, T.L.
Deposit date:2020-04-27
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Unexpected Differences between Two Closely Related Bacterial P450 Camphor Monooxygenases.
Biochemistry, 59, 2020
6WR1
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BU of 6wr1 by Molmil
Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone
Descriptor: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Petrunak, E.M, Bart, A.G, Scott, E.E.
Deposit date:2020-04-29
Release date:2021-05-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
6WR0
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BU of 6wr0 by Molmil
Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog
Descriptor: (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Petrunak, E.M, Bart, A.G, Scott, E.E.
Deposit date:2020-04-29
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
6WZP
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BU of 6wzp by Molmil
The crystal structure of 4-vinylbenzoate-bound T252A mutant CYP199A4
Descriptor: 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2020-05-14
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme
Acs Catalysis, 11, 2021

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PDB entries from 2024-06-19

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