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Xenobiotica
the fate of foreign compounds in biological systems
Volume 25, 1995 - Issue 4
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Research Article

Three-dimensional models of human and other mammalian microsomal P450s constructed from an alignment with P450102 (P450bm3)

Pages 333-366 | Received 04 Oct 1994, Published online: 22 Sep 2008

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Read on this site (14)

Bo Wang, Li-Ping Yang, Xiao-Zhuang Zhang, Shui-Qing Huang, Mark Bartlam & Shu-Feng Zhou. (2009) New insights into the structural characteristics and functional relevance of the human cytochrome P450 2D6 enzyme. Drug Metabolism Reviews 41:4, pages 573-643.
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SEAN EKINS & STEVEN A. WRIGHTON. (1999) THE ROLE OF CYP2B6 IN HUMAN XENOBIOTIC METABOLISM*. Drug Metabolism Reviews 31:3, pages 719-754.
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D. F. V. LEWIS & BRIAN G. LAKE. (1999) Molecular modelling of CYP4A subfamily members based on sequence homology with CYP102. Xenobiotica 29:8, pages 763-781.
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D. F. V. Lewis, C. Ioannides & D. V. Parke. (1998) An Improved and Updated Version of the Compact Procedure for the Evaluation of P450-Mediated Chemical Activation. Drug Metabolism Reviews 30:4, pages 709-737.
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D. F. V. LEWIS, M. DICKINS, R. J. WEAVER, P. J. EDDERSHAW, P. S. GOLDFARB & M. H. TARBIT. (1998) Molecular modelling of human CYP2C subfamily enzymes CYP2C9 and CYP2C19: rationalization of substrate specificity and site-directed mutagenesis experiments in the CYP2C subfamily. Xenobiotica 28:3, pages 235-268.
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Marcel J. De Groot & Nico P. E. Vermeulen. (1997) Modeling the Active Sites of Cytochrome P450s and Glutathione S-Transferases, two of the Most Important Biotransformation Enzymes. Drug Metabolism Reviews 29:3, pages 747-799.
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M. J. DE GROOT, G. J. BIJLOO, F. A. A. VAN ACKER, C. FONSECA GUERRA & J. G. SNIJDERS. (1997) Extension of a predictive substrate model for human cytochrome P4502D6. Xenobiotica 27:4, pages 357-368.
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D. F. V. LEWIS, P. J. EDDERSHAW, P. S. GOLDFARB & M. H. TARBIT. (1997) Molecular modelling of cytochrome P4502D6 (CYP2D6) based on an alignment with CYP102 : structural studies on specific CYP2D6substrate metabolism. Xenobiotica 27:4, pages 319-340.
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Articles from other publishers (47)

Amelia Nathania Dong, Nafees Ahemad, Yan Pan, Uma Devi Palanisamy, Beow Chin Yiap & Chin Eng Ong. (2022) Role of P34S, G169R, R296C, and S486T Substitutions in Ligand Access and Catalysis for Cytochrome P450 2D6 Allelic Variants CYP2D6*14A and CYP2D6*14B. Drug Metabolism and Bioanalysis Letters 15:1, pages 51-63.
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Usman Ali Ashfaq, Farah Shahid & Samman Munir. 2022. Biochemistry of Drug Metabolizing Enzymes. Biochemistry of Drug Metabolizing Enzymes 29 72 .
Amelia Nathania Dong, Nafees Ahemad, Yan Pan, Uma Devi Palanisamy, Beow Chin Yiap & Chin Eng Ong. (2019) Functional and structural characterisation of common cytochrome P450 2D6 allelic variants—roles of Pro34 and Thr107 in catalysis and inhibition. Naunyn-Schmiedeberg's Archives of Pharmacology 392:8, pages 1015-1029.
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Daniel Andrew Gideon, Rashmi Kumari, Andrew M. Lynn & Kelath Murali Manoj. (2012) What is the Functional Role of N-terminal Transmembrane Helices in the Metabolism Mediated by Liver Microsomal Cytochrome P450 and its Reductase?. Cell Biochemistry and Biophysics 63:1, pages 35-45.
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Larry J. Jolivette & Sean Ekins. 2007. 131 176 .
Huiying Li. 2006. Handbook of Metalloproteins. Handbook of Metalloproteins.
Paul Rowland, Frank E. Blaney, Martin G. Smyth, Jo J. Jones, Vaughan R. Leydon, Amanda K. Oxbrow, Ceri J. Lewis, Mike G. Tennant, Sandeep Modi, Drake S. Eggleston, Richard J. Chenery & Angela M. Bridges. (2006) Crystal Structure of Human Cytochrome P450 2D6. Journal of Biological Chemistry 281:11, pages 7614-7622.
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Delphine Allorge, Didier Bréant, Jacky Harlow, Joey Chowdry, Jean-Marc Lo-Guidice, Dany Chevalier, Christelle Cauffiez, Michel Lhermitte, Frank E. Blaney, Geoffrey T. Tucker, Franck Broly & S. Wynne Ellis. (2005) Functional analysis of CYP2D6.31 variant: Homology modeling suggests possible disruption of redox partner interaction by Arg440His substitution. Proteins: Structure, Function, and Bioinformatics 59:2, pages 339-346.
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David F.V. Lewis & Alan Wiseman. (2005) A selective review of bacterial forms of cytochrome P450 enzymes. Enzyme and Microbial Technology 36:4, pages 377-384.
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Huiying Li. 2012. Encyclopedia of Inorganic and Bioinorganic Chemistry. Encyclopedia of Inorganic and Bioinorganic Chemistry.
P. Hlavica, J. Schulze & D.F.V. Lewis. (2003) Functional interaction of cytochrome P450 with its redox partners: a critical assessment and update of the topology of predicted contact regions. Journal of Inorganic Biochemistry 96:2-3, pages 279-297.
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Dan A Rock, Brandon N.S Perkins, Jan Wahlstrom & Jeffrey P Jones. (2003) A method for determining two substrates binding in the same active site of cytochrome P450BM3: an explanation of high energy ω product formation. Archives of Biochemistry and Biophysics 416:1, pages 9-16.
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David F. V. Lewis. (2003) Quantitative structure–activity relationships (QSARs) within the cytochrome P450 system: QSARs describing substrate binding, inhibition and induction of P450s. InflammoPharmacology 11:1, pages 43-73.
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David F.V. Lewis. (2002) Modelling human cytochromes P450 involved in drug metabolism from the CYP2C5 crystallographic template. Journal of Inorganic Biochemistry 91:4, pages 502-514.
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Pavel Anzenbacher & Jiřı́ Hudeček. (2001) Differences in flexibility of active sites of cytochromes P450 probed by resonance Raman and UV–Vis absorption spectroscopy. Journal of Inorganic Biochemistry 87:4, pages 209-213.
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David Lewis. 2001. Guide to Cytochromes P450. Guide to Cytochromes P450 164 210 .
Kyoko Kitagawa, Naoki Kunugita, Masatoshi Kitagawa & Toshihiro Kawamoto. (2001) CYP2A6*6, a Novel Polymorphism in Cytochrome P450 2A6, Has a Single Amino Acid Substitution (R128Q) That Inactivates Enzymatic Activity. Journal of Biological Chemistry 276:21, pages 17830-17835.
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Kerstin Lundell, Ronnie Hansson & Kjell Wikvall. (2001) Cloning and Expression of a Pig Liver Taurochenodeoxycholic Acid 6α-Hydroxylase (CYP4A21). Journal of Biological Chemistry 276:13, pages 9606-9612.
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David F?V Lewis. (2001) COMPACT: a structural approach to the modelling of cytochromes P450 and their interactions with xenobiotics. Journal of Chemical Technology & Biotechnology 76:3, pages 237-244.
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Sheila J. Sadeghi, Georgia E. Tsotsou, Michael Fairhead, Yergalem T. Meharenna & Gianfranco Gilardi. 2000. Physics and Chemistry Basis of Biotechnology. Physics and Chemistry Basis of Biotechnology 71 104 .
Alaattin Sen, Chin‐Hwa Hu, Ena Urbach, Jun‐Lan Wang‐Buhler, Yea‐Huey Yang, Emel Arinc & Donald R. Buhler. (2001) Cloning, sequencing, and characterization of CYP1A1 cDNA from leaping mullet ( Liza Saliens ) liver and implications for the potential functions of its conserved amino acids . Journal of Biochemical and Molecular Toxicology 15:5, pages 243-255.
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Kelly A. Regal & Sidney D. Nelson. (2000) Orientation of Caffeine within the Active Site of Human Cytochrome P450 1A2 Based on NMR Longitudinal (T1) Relaxation Measurements. Archives of Biochemistry and Biophysics 384:1, pages 47-58.
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D.F.V. Lewis, C. Ioannides, D.V. Parke & R. Schulte-Hermann. (2000) Quantitative structure–activity relationships in a series of endogenous and synthetic steroids exhibiting induction of CYP3A activity and hepatomegaly associated with increased DNA synthesis. The Journal of Steroid Biochemistry and Molecular Biology 74:4, pages 179-185.
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David F.V. Lewis & Peter Hlavica. (2000) Interactions between redox partners in various cytochrome P450 systems: functional and structural aspects. Biochimica et Biophysica Acta (BBA) - Bioenergetics 1460:2-3, pages 353-374.
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Jiří Hudeček, Eva Anzenbacherová, Pavel Anzenbacher, Andrew W. Munro & Peter Hildebrandt. (2000) Structural Similarities and Differences of the Heme Pockets of Various P450 Isoforms as Revealed by Resonance Raman Spectroscopy. Archives of Biochemistry and Biophysics 383:1, pages 70-78.
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Grazyna D. Szklarz, Sandra E. Graham & Mark D. Paulsen. 2000. 53 87 .
David F.V. Lewis, Brian G. Lake, Stephen G. George, Maurice Dickins, Peter J. Eddershaw, Michael H. Tarbit, Alan P. Beresford, Peter S. Goldfarb & F.Peter Guengerich. (1999) Molecular modelling of CYP1 family enzymes CYP1A1, CYP1A2, CYP1A6 and CYP1B1 based on sequence homology with CYP102. Toxicology 139:1-2, pages 53-79.
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David F.V. Lewis. (1999) Homology modelling of human cytochromes P450 involved in xenobiotic metabolism and rationalization of substrate selectivity. Experimental and Toxicologic Pathology 51:4-5, pages 369-374.
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Yan-Tyng Chang & Gilda H. Loew. (1999) Homology modeling and substrate binding study of human CYP4A11 enzyme. Proteins: Structure, Function, and Genetics 34:3, pages 403-415.
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David FV Lewis, Costas Ioannides & Dennis V Parke. (2016) A combined COMPACT and HazardExpert study of 40 chemicals for which information on mutagenicity and carcinogenicity is known, including the results of human epidemiological studies. Human & Experimental Toxicology 17:10, pages 577-586.
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Renke Dai, Suoping Zhai, Xiaoxiong Wei, Matthew R. Pincus, Robert E. Vestal & Fred K. Friedman. (1998) Inhibition of human cytochrome P450 1A2 by flavones: A molecular modeling study. Journal of Protein Chemistry 17:7, pages 643-650.
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Theresa S. Klose, Gordon C. Ibeanu, Burhan I. Ghanayem, Lee G. Pedersen, Leiping Li, Stephen D. Hall & Joyce A. Goldstein. (1998) Identification of Residues 286 and 289 as Critical for Conferring Substrate Specificity of Human CYP2C9 for Diclofenac and Ibuprofen. Archives of Biochemistry and Biophysics 357:2, pages 240-248.
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David F.V. Lewis & Peter Lee-Robichaud. (1998) Molecular modelling of steroidogenic cytochromes P450 from families CYP11, CYP17, CYP19 and CYP21 based on the CYP102 crystal Structure. The Journal of Steroid Biochemistry and Molecular Biology 66:4, pages 217-233.
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D.F.V. Lewis, E. Watson & B.G. Lake. (1998) Evolution of the cytochrome P450 superfamily: sequence alignments and pharmacogenetics. Mutation Research/Reviews in Mutation Research 410:3, pages 245-270.
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Ole Sibbesen, Zhoupeng Zhang & Paul R. Ortiz de Montellano. (1998) Cytochrome P450camSubstrate Specificity: Relationship between Structure and Catalytic Oxidation of Alkylbenzenes. Archives of Biochemistry and Biophysics 353:2, pages 285-296.
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Jiøı́ Hudeèek, Vladimı́r Baumruk, Pavel Anzenbacher & Andrew W. Munro. (1998) Catalytically Self-Sufficient P450 CYP102 (Cytochrome P450 BM-3): Resonance Raman Spectral Characterization of the Heme Domain and of the Holoenzyme. Biochemical and Biophysical Research Communications 243:3, pages 811-815.
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David F.V. Lewis & Brian G. Lake. (1998) Molecular modelling and quantitative structure-activity relationship studies on the interaction of omeprazole with cytochrome P450 isozymes. Toxicology 125:1, pages 31-44.
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Tomas Cvrk & Henry W. Strobel. (1998) Photoaffinity Labeling of Cytochrome P4501A1 with Azidocumene: Identification of Cumene Hydroperoxide Binding Region. Archives of Biochemistry and Biophysics 349:1, pages 95-104.
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Grazyna D Szklarz & James R Halpert. (1997) USE OF HOMOLOGY MODELING IN CONJUNCTION WITH SITE-DIRECTED MUTAGENESIS FOR ANALYSIS OF STRUCTURE-FUNCTION RELATIONSHIPS OF MAMMALIAN CYTOCHROMES P450. Life Sciences 61:26, pages 2507-2520.
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Dennis A. Smith, Mark J. Ackland & Barry C. Jones. (1997) Properties of cytochrome P450 isoenzymes and their substrates Part 1: active site characteristics. Drug Discovery Today 2:10, pages 406-414.
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Pascale Jean, Joël Pothier, Patrick M. Dansette, Daniel Mansuy & Alain Viari. (1997) Automated multiple analysis of protein structures: Application to homology modeling of cytochromes P450. Proteins: Structure, Function, and Genetics 28:3, pages 388-404.
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Yen-ling Cheung, David F.V. Lewis, T.Ian Ridd, Timothy J.B. Gray & Costas Ioannides. (1997) Diaminonaphthalenes and related aminocompounds: Mutagenicity, CYP1A induction and interaction with the Ah receptor. Toxicology 118:2-3, pages 115-127.
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David F.V. Lewis, Michael G. Bird & Dennis V. Parke. (1997) Molecular modelling of CYP2E1 enzymes from rat, mouse and man: An explanation for species differences in butadiene metabolism and potential carcinogenicity, and rationalization of CYP2E substrate specificity. Toxicology 118:2-3, pages 93-113.
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David E. Leahy, Ruth Duncan, Hans J. Ahr, Martin K. Bayliss, A. (Bert) G. de Boer, Ferenc Darvas, Julia H. Fentem, Jeffrey R. Fry, Robert Hopkins, J. Brian Houston, Johan Karlsson, Gregory L. Kedderis, Margaret K. Pratten, Pilar Prieto, Dennis A. Smith & Donald W. Straughan. (2020) Pharmacokinetics in Early Drug Research. Alternatives to Laboratory Animals 25:1, pages 17-31.
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D. F. V. Lewis. 1997. Food Chemical Risk Analysis. Food Chemical Risk Analysis 163 194 .
Y.T. Chang, O.B. Stiffelman & G.H. Loew. (1996) Computer modeling of 3D structures of cytochrome P450s. Biochimie 78:8-9, pages 771-779.
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S. Wynne Ellis, Graham P. Hayhurst, Gillian Smith, Tracy Lightfoot, Mandy M.S. Wong, Anthony P. Simula, Mark J. Ackland, Michael J.E. Sternberg, Martin S. Lennard, Geoffrey T. Tucker & C. Roland Wolf. (1995) Evidence That Aspartic Acid 301 Is a Critical Substrate-Contact Residue in the Active Site of Cytochrome P450 2D6. Journal of Biological Chemistry 270:49, pages 29055-29058.
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