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2QBN
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BU of 2qbn by Molmil
Crystal structure of ferric G248V cytochrome P450cam
Descriptor: CAMPHOR, Cytochrome P450-cam, POTASSIUM ION, ...
Authors:von Koenig, K, Makris, T.M, Sligar, S.D, Schlichting, I.
Deposit date:2007-06-18
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Alteration of P450 Distal Pocket Solvent Leads to Impaired Proton Delivery and Changes in Heme Geometry.
Biochemistry, 46, 2007
2QBL
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BU of 2qbl by Molmil
Crystal structure of ferric G248T cytochrome P450cam
Descriptor: CAMPHOR, Cytochrome P450-cam, POTASSIUM ION, ...
Authors:von Koenig, K, Makris, T.M, Sligar, S.D, Schlichting, I.
Deposit date:2007-06-18
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Alteration of P450 Distal Pocket Solvent Leads to Impaired Proton Delivery and Changes in Heme Geometry.
Biochemistry, 46, 2007
8SBI
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BU of 8sbi by Molmil
Crystal structure of human sterol 14 alpha-demethylase (CYP51) in the ligand-free state
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2023-04-03
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural dynamics of sterol 14 alpha demethylases upon catalysis
To Be Published
6E8Q
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BU of 6e8q by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH Posaconazole
Descriptor: DODECYL-BETA-D-MALTOSIDE, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
Authors:Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C.
Deposit date:2018-07-30
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob. Agents Chemother., 63, 2019
1IO8
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BU of 1io8 by Molmil
Thermophilic cytochrome P450 (CYP119) from sulfolobus solfataricus: High resolution structural origin of its thermostability and functional properties
Descriptor: CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE
Authors:Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2001-02-08
Release date:2001-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties
J.Inorg.Biochem., 91, 2002
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
1IO9
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BU of 1io9 by Molmil
THERMOPHILIC CYTOCHROME P450 (CYP119) FROM SULFOLOBUS SOLFATARICUS: HIGH RESOLUTION STRUCTURAL ORIGIN OF ITS THERMOSTABILITY AND FUNCTIONAL PROPERTIES
Descriptor: CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE
Authors:Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2001-02-08
Release date:2001-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties.
J.Inorg.Biochem., 91, 2002
8SPP
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BU of 8spp by Molmil
Crystal structure of a heme enzyme RufO in rufomycin biosynthesis
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, Y, Jordan, S, Li, B.
Deposit date:2023-05-03
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural and spectroscopic characterization of RufO indicates a new biological role in rufomycin biosynthesis.
J.Biol.Chem., 299, 2023
1IWI
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BU of 1iwi by Molmil
Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Cytochrome P450cam
Descriptor: CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-05-15
Release date:2002-06-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam
Biochemistry, 42, 2003
8SG5
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BU of 8sg5 by Molmil
Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ...
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2023-04-11
Release date:2023-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
8SPD
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BU of 8spd by Molmil
Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2023-05-02
Release date:2023-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 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
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
6F88
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BU of 6f88 by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276N) 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 (1.75 Å)
Cite:Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
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
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
8SS0
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BU of 8ss0 by Molmil
Human sterol 14 alpha-demethylase (CYP51) in complex with the reaction intermediate 14 alpha-aldehyde dihydrolanosterol
Descriptor: 3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T.Y, Wawrzak, Z, Guengerich, F.P, Lepesheva, G.I.
Deposit date:2023-05-08
Release date:2024-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Oxygen-18 Labeling Reveals a Mixed Fe-O Mechanism in the Last Step of Cytochrome P450 51 Sterol 14 alpha-Demethylation.
Angew.Chem.Int.Ed.Engl., 63, 2024
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
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
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
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
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
1JIO
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BU of 1jio by Molmil
P450eryF/6DEB
Descriptor: 6-DEOXYERYTHRONOLIDE B, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K.
Deposit date:2001-07-02
Release date:2001-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
1K2O
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BU of 1k2o by Molmil
Cytochrome P450Cam with Bound BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II)
Descriptor: CACODYLATE ION, Cytochrome P450CAM, DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II), ...
Authors:Dunn, A.R, Dmochowski, I.J, Bilwes, A.M, Gray, H.B, Crane, B.R.
Deposit date:2001-09-28
Release date:2001-10-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Probing the open state of cytochrome P450cam with ruthenium-linker substrates.
Proc.Natl.Acad.Sci.USA, 98, 2001
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

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