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2GR6
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Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a)
Descriptor: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Rao, Z, Wong, L.L, Xu, F, Bell, S.G.
Deposit date:2006-04-22
Release date:2007-04-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pentachlorobenzene oxidation by engineered cytochrome P450cam: Substrate binding and the mechanism of aromatic C-H bond oxidation
To be Published
2GQX
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Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) with pentachlorobenzene
Descriptor: 1,2,3,4,5-PENTACHLOROBENZENE, Cytochrome P450-cam, POTASSIUM ION, ...
Authors:Rao, Z, Wong, L.L, Xu, F, Bell, S.G.
Deposit date:2006-04-22
Release date:2007-04-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity correlations in pentachlorobenzene oxidation by engineered cytochrome P450cam
Protein Eng.Des.Sel., 20, 2007
2DKK
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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
2J1M
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P450 BM3 Heme domain in complex with DMSO
Descriptor: CYTOCHROME P450 102, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U.
Deposit date:2006-08-14
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3.
J.Am.Chem.Soc., 129, 2007
2J4S
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P450 BM3 heme domain in complex with DMSO
Descriptor: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U.
Deposit date:2006-09-05
Release date:2007-05-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3.
J.Am.Chem.Soc., 129, 2007
2V0M
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Crystal structure of human P450 3A4 in complex with ketoconazole
Descriptor: 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE, CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sjogren, T, Ekroos, M.
Deposit date:2007-05-15
Release date:2007-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
2CIB
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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
2NZ5
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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
2NZA
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Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
Descriptor: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhao, B, Waterman, M.R.
Deposit date:2006-11-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 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
2Z3U
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Crystal Structure of Chromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1)
Descriptor: 1,2-ETHANEDIOL, 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID, Cytochrome P450, ...
Authors:Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S.
Deposit date:2007-06-06
Release date:2007-07-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton
Proc.Natl.Acad.Sci.Usa, 104, 2007
2Z3T
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Crystal Structure of Substrate Free Cytochrome P450 StaP (CYP245A1)
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, IMIDAZOLE, ...
Authors:Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S.
Deposit date:2007-06-06
Release date:2007-07-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PG5
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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
2PG7
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Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V
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 (2.8 Å)
Cite:Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
2PG6
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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
2Z36
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Crystal structure of cytochrome P450 MoxA from Nonomuraea recticatena (CYP105)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 type compactin 3'',4''-hydroxylase, FE (III) ION, ...
Authors:Yasutake, Y, Fujii, Y, Fujii, T, Arisawa, A, Tamura, T.
Deposit date:2007-06-02
Release date:2007-08-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of cytochrome P450 MoxA from Nonomuraea recticatena (CYP105)
Biochem.Biophys.Res.Commun., 361, 2007
2UWH
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BU of 2uwh by Molmil
Cytochrome P450 BM3 mutant in complex with palmitic acid
Descriptor: BIFUNCTIONAL P-450: NADPH-P450 REDUCTASE, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE
Authors:Huang, W.-C, Joyce, M.G, Westlake, A.C.G, Roberts, G.C.K, Moody, P.C.E.
Deposit date:2007-03-21
Release date:2007-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Filling a Hole in Cytochrome P450 Bm3 Improves Substrate Binding and Catalytic Efficiency.
J.Mol.Biol., 373, 2007
2NNB
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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
2NNJ
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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
2NNI
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CYP2C8dH complexed with montelukast
Descriptor: Cytochrome P450 2C8, MONTELUKAST, 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 (2.8 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
2NNH
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CYP2C8dH complexed with 2 molecules of 9-cis retinoic acid
Descriptor: (9cis)-retinoic acid, Cytochrome P450 2C8, 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 (2.6 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
2Q6N
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Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole
Descriptor: 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhao, Y, Sun, L, Muralidhara, B.K, Kumar, S, White, M.A, Stout, C.D, Halpert, J.R.
Deposit date:2007-06-05
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4.
Biochemistry, 46, 2007
3B99
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Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) in complex with substrate analog U51605
Descriptor: (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid, PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase
Authors:Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L.
Deposit date:2007-11-03
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
3B98
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Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1)
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase
Authors:Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L.
Deposit date:2007-11-03
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
3B6H
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Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil
Descriptor: 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ...
Authors:Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L.
Deposit date:2007-10-29
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008

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