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2Q9G
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Crystal structure of human cytochrome P450 46A1
Descriptor: Cytochrome P450 46A1, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
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:2023-08-30
Method:X-RAY DIFFRACTION (2.4 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
4EJH
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BU of 4ejh by Molmil
Human Cytochrome P450 2A13 in complex with 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK)
Descriptor: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one, Cytochrome P450 2A13, GLYCEROL, ...
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2012-04-06
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
J.Biol.Chem., 287, 2012
2P85
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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
4EJG
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Human Cytochrome P450 2A13 in complex with Nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450 2A13, GLYCEROL, ...
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2012-04-06
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
J.Biol.Chem., 287, 2012
4EJI
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Human Cytochrome P450 2A13 in complex with two molecules of 4-(methylnitrosamino)-1-(3-puridyl)-1-butanone
Descriptor: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2012-04-06
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
J.Biol.Chem., 287, 2012
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
Authors:Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
Deposit date:2022-09-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
2Z36
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BU of 2z36 by Molmil
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
1T93
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Evidence for Multiple Substrate Recognition and Molecular Mechanism of C-C reaction by Cytochrome P450 CYP158A2 from Streptomyces Coelicolor A3(2)
Descriptor: FLAVIOLIN, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
Authors:Zhao, B, Sundaramoorthy, M, Waterman, M.R.
Deposit date:2004-05-14
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.62 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
3CXV
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BU of 3cxv by Molmil
Crystal structure of the Cytochrome P450 CYP121 A233G mutant from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization of active site structure in CYP121. A cytochrome P450 essential for viability of Mycobacterium tuberculosis H37Rv.
J.Biol.Chem., 283, 2008
4ICT
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BU of 4ict by Molmil
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
Descriptor: (3S,6S)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fonvielle, M, Le Du, M.-H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P.
Deposit date:2012-12-11
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
4KQ8
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Structure of Recombinant Human Cytochrome P450 Aromatase
Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
Authors:Ghosh, D, Di Nardo, G, Griswold, J.
Deposit date:2013-05-14
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural basis for the functional roles of critical residues in human cytochrome p450 aromatase.
Biochemistry, 52, 2013
4IPS
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BU of 4ips by Molmil
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one, Cytochrome P450 121, GLYCEROL, ...
Authors:Fonvielle, M, LeDu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P.
Deposit date:2013-01-10
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
4IPW
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Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
Descriptor: (3S,6S)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, GLYCEROL, ...
Authors:Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P.
Deposit date:2013-01-10
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
4IQ7
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BU of 4iq7 by Molmil
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
Descriptor: (3S,6S)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P.
Deposit date:2013-01-11
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
4IQ9
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BU of 4iq9 by Molmil
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
Descriptor: (3S,6S)-3-(4-hydroxybenzyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione, Cytochrome P450 121, GLYCEROL, ...
Authors:Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P.
Deposit date:2013-01-11
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
2Z97
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BU of 2z97 by Molmil
Crystal Structure of Ferric Cytochrome P450cam Reconstituted with 7-Methyl-7-depropionated Hemin
Descriptor: 7-METHYL-7-DEPROPIONATEHEMIN, CAMPHOR, Cytochrome P450-cam, ...
Authors:Hayashi, T, Harada, K, Sakurai, K, Hirota, S, Shimada, H.
Deposit date:2007-09-18
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A role of the heme-7-propionate side chain in cytochrome P450cam as a gate for regulating the access of water molecules to the substrate-binding site
J.Am.Chem.Soc., 131, 2009
6DCD
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BU of 6dcd by Molmil
Mycobacterium marinum cytochrome P450 CYP150A6 in the substrate-free form
Descriptor: Cytochrome P450 150A6 Cyp150A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:Child, S.A, Bruning, J.B, Bell, S.G.
Deposit date:2018-05-05
Release date:2019-03-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The characterisation of two members of the cytochrome P450 CYP150 family: CYP150A5 and CYP150A6 from Mycobacterium marinum.
Biochim Biophys Acta Gen Subj, 1863, 2019
4MGJ
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BU of 4mgj by Molmil
Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, Y, Zhang, H, Usharani, D, Bu, W, Im, S, Tarasev, M, Rwere, F, Meagher, J, Sun, C, Stuckey, J, Shaik, S, Waskell, L.
Deposit date:2013-08-28
Release date:2014-08-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.
Biochemistry, 53, 2014
5T6Q
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Structure of cytochrome P450 4B1 (CYP4B1) complexed with octane: An n-Alkane and fatty acid omega-hydroxylase with a covalently bound heme
Descriptor: Cytochrome P450 4B1, N-OCTANE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hsu, M, Johnson, E.F.
Deposit date:2016-09-01
Release date:2017-02-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:The Crystal Structure of Cytochrome P450 4B1 (CYP4B1) Monooxygenase Complexed with Octane Discloses Several Structural Adaptations for omega-Hydroxylation.
J. Biol. Chem., 292, 2017
4WNU
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BU of 4wnu by Molmil
Human Cytochrome P450 2D6 Quinidine Complex
Descriptor: Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4WNV
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Human Cytochrome P450 2D6 Quinine Complex
Descriptor: Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
7L18
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BU of 7l18 by Molmil
Crystal structure of a tandem deletion mutant of rat NADPH-cytochrome P450 reductase
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hubbard, P.A, Xia, C, Shen, A.L, Kim, J.J.K.
Deposit date:2020-12-14
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.542 Å)
Cite:Structural and kinetic investigations of the carboxy terminus of NADPH-cytochrome P450 oxidoreductase.
Arch.Biochem.Biophys., 701, 2021
1QMQ
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Optical detection of cytochrome P450 by sensitizer-linked substrates
Descriptor: ACETATE ION, CYTOCHROME P450, DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II), ...
Authors:Crane, B.R, Dmochowski, I.J, Gray, H.B.
Deposit date:1999-10-05
Release date:2000-10-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Optical Detection of Cytochrome P450 by Sensitizer-Linked Substrates
Proc.Natl.Acad.Sci.USA, 96, 1999
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
6O5Y
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BU of 6o5y by Molmil
Structure of Human Cytochrome P450 1A1 with 5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
Descriptor: 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, Cytochrome P450 1A1, NITRATE ION, ...
Authors:Bart, A.G, Scott, E.E.
Deposit date:2019-03-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Human Cytochrome P450 1A1 Adapts Active Site for Atypical Nonplanar Substrate.
Drug Metab.Dispos., 48, 2020

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