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1JPZ
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Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine
Descriptor: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A.
Deposit date:2001-08-03
Release date:2001-11-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Pivotal role of water in the mechanism of P450BM-3.
Biochemistry, 40, 2001
2BVJ
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Ligand-free structure of cytochrome P450 PikC (CYP107L1)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ...
Authors:Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
Deposit date:2005-06-28
Release date:2006-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2CIB
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BU of 2cib by Molmil
High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors
Descriptor: (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R.
Deposit date:2006-03-17
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2CI0
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High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors
Descriptor: (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R.
Deposit date:2006-03-16
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2C7X
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Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1)
Descriptor: CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
Deposit date:2005-11-29
Release date:2006-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2CA0
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BU of 2ca0 by Molmil
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
Descriptor: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M.
Deposit date:2005-12-15
Release date:2006-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of Yc-17-Bound Cytochrome P450 Pikc (Cyp107L1)
To be Published
2CD8
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BU of 2cd8 by Molmil
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
Descriptor: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M.
Deposit date:2006-01-20
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2BMH
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BU of 2bmh by Molmil
MODELING PROTEIN-SUBSTRATE INTERACTIONS IN THE HEME DOMAIN OF CYTOCHROME P450BM-3
Descriptor: CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, H, Poulos, T.L.
Deposit date:1994-05-17
Release date:1994-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Modeling protein-substrate interactions in the heme domain of cytochrome P450(BM-3).
Acta Crystallogr.,Sect.D, 51, 1995
1JFB
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BU of 1jfb by Molmil
X-ray structure of nitric oxide reductase (cytochrome P450nor) in the ferric resting state at atomic resolution
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, nitric-oxide reductase cytochrome P450 55A1
Authors:Shimizu, H, Adachi, S, Park, S.Y, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2001-06-20
Release date:2001-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray structure of nitric oxide reductase (cytochrome P450nor) at atomic resolution.
Acta Crystallogr.,Sect.D, 58, 2002
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
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
2CP4
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BU of 2cp4 by Molmil
CRYSTAL STRUCTURE OF THE CYTOCHROME P450-CAM ACTIVE SITE MUTANT THR252ALA
Descriptor: CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1991-06-04
Release date:1993-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the cytochrome P-450CAM active site mutant Thr252Ala.
Biochemistry, 30, 1991
1JIP
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BU of 1jip by Molmil
P450eryF(A245S)/ketoconazole
Descriptor: CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, 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 Å)
Cite:Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
1JFC
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BU of 1jfc by Molmil
X-ray structure of nitric oxide reductase (cytochrome P450nor) in the ferrous CO state at atomic resolution
Descriptor: CARBON MONOXIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Shimizu, H, Adachi, S, Park, S.Y, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2001-06-20
Release date:2001-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:X-ray structure of nitric oxide reductase (cytochrome P450nor) at atomic resolution.
Acta Crystallogr.,Sect.D, 58, 2002
1LGF
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BU of 1lgf by Molmil
Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis
Descriptor: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pylypenko, O, Zerbe, K, Vitali, F, Zhang, W, Vrijbloed, J.W, Robinson, J.A, Schlichting, I.
Deposit date:2002-04-15
Release date:2002-12-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis.
J.Biol.Chem., 277, 2002
1J51
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BU of 1j51 by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F/V247L/C334A) WITH 1,3,5-TRICHLOROBENZENE
Descriptor: 1,3,5-TRICHLORO-BENZENE, CYTOCHROME P450CAM, POTASSIUM ION, ...
Authors:Chen, X, Christopher, A, Jones, J, Guo, Q, Xu, F, Cao, R, Wong, L.L, Rao, Z.
Deposit date:2002-01-05
Release date:2002-01-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the F87W/Y96F/V247L mutant of cytochrome P-450cam with 1,3,5-trichlorobenzene bound and further protein engineering for the oxidation of pentachlorobenzene and hexachlorobenzene
J.BIOL.CHEM., 277, 2002
1LG9
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BU of 1lg9 by Molmil
Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis
Descriptor: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pylypenko, O, Zerbe, K, Vitali, F, Zhang, W, Vrijbloed, J.W, Robinson, J.A, Schlichting, I.
Deposit date:2002-04-15
Release date:2002-12-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis.
J.Biol.Chem., 277, 2002
1LFK
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BU of 1lfk by Molmil
Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis
Descriptor: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pylypenko, O, Zerbe, K, Vitali, F, Zhang, W, Vrijbloed, J.W, Robinson, J.A, Schlichting, I.
Deposit date:2002-04-11
Release date:2002-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis.
J.Biol.Chem., 277, 2002
1JME
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BU of 1jme by Molmil
Crystal Structure of Phe393His Cytochrome P450 BM3
Descriptor: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ost, T.W.B, Munro, A.W, Mowat, C.G, Pesseguiero, A, Fulco, A.J, Cho, A.K, Cheesman, M.A, Walkinshaw, M.D, Chapman, S.K.
Deposit date:2001-07-18
Release date:2001-11-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and spectroscopic analysis of the F393H mutant of flavocytochrome P450 BM3.
Biochemistry, 40, 2001
1JIN
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BU of 1jin by Molmil
P450eryF/ketoconazole
Descriptor: CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, 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 (2.3 Å)
Cite:Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
2D0E
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BU of 2d0e by Molmil
Substrate assited in Oxygen Activation in Cytochrome P450 158A2
Descriptor: 2-HYDROXYNAPHTHOQUINONE, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
Authors:Zhao, B, Waterman, M.R.
Deposit date:2005-08-02
Release date:2005-10-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
2FER
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BU of 2fer by Molmil
P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX
Descriptor: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING MN
Authors:von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I.
Deposit date:2005-12-16
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
2DKK
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BU of 2dkk by Molmil
Structure/Function studies of Cytochrome P450 158A1 from Streptomyces Coelicolor A3(2)
Descriptor: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450
Authors:Zhao, B.
Deposit date:2006-04-12
Release date:2007-04-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
2FEU
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BU of 2feu by Molmil
P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
Authors:von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I.
Deposit date:2005-12-16
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
2FDW
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Crystal Structure Of Human Microsomal P450 2A6 with the inhibitor (5-(Pyridin-3-yl)furan-2-yl)methanamine bound
Descriptor: (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yano, J.K, Stout, C.D, Johnson, E.F.
Deposit date:2005-12-14
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006

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