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Original Articles

Application of 3-Dimensional Homology Modeling of Cytochrome P450 2B1 for Interpretation of Site-Directed Mutagenesis Results

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Pages 61-78 | Received 31 May 1994, Published online: 21 May 2012

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (5)

GrazynaD. Szklarz & MarkD. Paulsen. (2002) Molecular Modeling of Cytochrome P450 1A1: Enzyme-Substrate Interactions and Substrate Binding Affinities. Journal of Biomolecular Structure and Dynamics 20:2, pages 155-162.
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Mark R. Fielden, Jason B. Matthews, Kirsten C. Fertuck, Robert G. Halgren & Tim R. Zacharewski. (2002) In Silico Approaches to Mechanistic and Predictive Toxicology: An Introduction to Bioinformatics for Toxicologists. Critical Reviews in Toxicology 32:2, pages 67-112.
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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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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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Articles from other publishers (37)

Arthur G. Roberts, Jeffrey C. Stevens, Grazyna D. Szklarz, Emily E. Scott, Santosh Kumar, Manish B. Shah & James R. Halpert. (2023) Four Decades of Cytochrome P450 2B Research: From Protein Adducts to Protein Structures and Beyond. Drug Metabolism and Disposition 51:1, pages 111-122.
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Yogan Khatri, Ilona K. Jóźwik, Michael Ringle, Irina Alexandra Ionescu, Martin Litzenburger, Michael Christopher Hutter, Andy-Mark W. H. Thunnissen & Rita Bernhardt. (2018) Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chemical Biology 13:4, pages 1021-1028.
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Sandra Giovanna Salamanca-Pinzon, Yogan Khatri, Yvonne Carius, Lena Keller, Rolf Müller, C. Roy D. Lancaster & Rita Bernhardt. (2016) Structure-function analysis for the hydroxylation of Δ4 C21-steroids by the myxobacterial CYP260B1. FEBS Letters 590:12, pages 1838-1851.
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Łukasz Gricman, Constantin Vogel & Jürgen Pleiss. (2015) Identification of universal selectivity-determining positions in cytochrome P450 monooxygenases by systematic sequence-based literature mining. Proteins: Structure, Function, and Bioinformatics 83:9, pages 1593-1603.
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Martiniano Bello, Jessica E. Mendieta-Wejebe & José Correa-Basurto. (2014) Structural and energetic analysis to provide insight residues of CYP2C9, 2C11 and 2E1 involved in valproic acid dehydrogenation selectivity. Biochemical Pharmacology 90:2, pages 145-158.
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Hamed I. Ali, Morio Yamada, Yukihisa Fujita, Mitsuko Maeda & Eiichi Akaho. (2011) Studies on 16 -Hydroxylation of Steroid Molecules and Regioselective Binding Mode in Homology-Modeled Cytochrome P450-2C11 . International Journal of Medicinal Chemistry 2011, pages 1-11.
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Hussaina Banu, N. Renuka & Geetha Vasanthakumar. (2011) Reduced catalytic activity of human CYP2C9 natural alleles for gliclazide: Molecular dynamics simulation and docking studies. Biochimie 93:6, pages 1028-1036.
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B. Oesch-Bartlomowicz & F. Oesch. (2008) Phosphorylation of xenobiotic-metabolizing cytochromes P450. Analytical and Bioanalytical Chemistry 392:6, pages 1085-1092.
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Michael Lisurek, Birgit Simgen, Iris Antes & Rita Bernhardt. (2008) Theoretical and Experimental Evaluation of a CYP106A2 Low Homology Model and Production of Mutants with Changed Activity and Selectivity of Hydroxylation. ChemBioChem 9:9, pages 1439-1449.
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Carol A. Kemp, Jean-Didier Maréchal & Michael J. Sutcliffe. (2005) Progress in cytochrome P450 active site modeling. Archives of Biochemistry and Biophysics 433:2, pages 361-368.
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Barbara Oesch-Bartlomowicz & Franz Oesch. (2004) Modulation of mutagenicity by phosphorylation of mutagen-metabolizing enzymes. Archives of Biochemistry and Biophysics 423:1, pages 31-36.
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Barbara Oesch-Bartlomowicz & Franz Oesch. (2003) Cytochrome-P450 phosphorylation as a functional switch. Archives of Biochemistry and Biophysics 409:1, pages 228-234.
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Stewart B Kirton, Carol A Baxter & Michael J Sutcliffe. (2002) Comparative modelling of cytochromes P450. Advanced Drug Delivery Reviews 54:3, pages 385-406.
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B. Oesch-Bartlomowicz & F. Oesch. (2002) Fast Regulation of Cytochrome P450 Activities by Phosphorylation and Consequences for Drug Metabolism and Toxicity. Biological Chemistry 383:10.
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Barbara Oesch-Bartlomowicz, Bernd Richter, Roger Becker, Stephan Vogel, Palghat R. Padma, Jan-Georg Hengstler & Franz Oesch. (2001) cAMP-dependent phosphorylation of CYP2B1 as a functional switch for cyclophosphamide activation and its hormonal controlin vitro andin vivo. International Journal of Cancer 94:5, pages 733-742.
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Emily E. Scott, Margit Spatzenegger & James R. Halpert. (2001) A Truncation of 2B Subfamily Cytochromes P450 Yields Increased Expression Levels, Increased Solubility, and Decreased Aggregation While Retaining Function. Archives of Biochemistry and Biophysics 395:1, pages 57-68.
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Caroline S Miles, Tobias W.B Ost, Michael A Noble, Andrew W Munro & Stephen K Chapman. (2000) Protein engineering of cytochromes P-450. Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology 1543:2, pages 383-407.
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Haitao Ji, Wannian Zhang, Youjun Zhou, Min Zhang, Jie Zhu, Yunlong Song, Jiaguo Lü & Jü Zhu. (2000) A Three-Dimensional Model of Lanosterol 14α-Demethylase of Candida albicans and Its Interaction with Azole Antifungals . Journal of Medicinal Chemistry 43:13, pages 2493-2505.
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Jose Cosme & Eric F. Johnson. (2000) Engineering Microsomal Cytochrome P450 2C5 to Be a Soluble, Monomeric Enzyme. Journal of Biological Chemistry 275:4, pages 2545-2553.
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Grazyna D. Szklarz, Sandra E. Graham & Mark D. Paulsen. 2000. 53 87 .
Marcel J. de Groot, Mark J. Ackland, Valerie A. Horne, Alexander A. Alex & Barry C. Jones. (1999) A Novel Approach to Predicting P450 Mediated Drug Metabolism. CYP2D6 Catalyzed N-Dealkylation Reactions and Qualitative Metabolite Predictions Using a Combined Protein and Pharmacophore Model for CYP2D6. Journal of Medicinal Chemistry 42:20, pages 4062-4070.
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Leposava Antonovič, Petr Hodek, Stanislav Smrček, Petr Novák, Mirek Šulc & Henry W. Strobel. (1999) Heterobifunctional Photoaffinity Probes for Cytochrome P450 2B. Archives of Biochemistry and Biophysics 370:2, pages 208-215.
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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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Chul-Ho Yun, Taeho Ahn & F.Peter Guengerich. (1998) Conformational Change and Activation of Cytochrome P450 2B1 Induced by Salt and Phospholipid. Archives of Biochemistry and Biophysics 356:2, pages 229-238.
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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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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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Ute M. Kent, Imad H. Hanna, Grazyna D. Szklarz, Alfin D. N. Vaz, James R. Halpert, John R. Bend & Paul F. Hollenberg. (1997) Significance of Glycine 478 in the Metabolism of N -Benzyl-1-aminobenzotriazole to Reactive Intermediates by Cytochrome P450 2B1 . Biochemistry 36:39, pages 11707-11716.
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Sharon M. Strobel & James R. Halpert. (1997) Reassessment of Cytochrome P450 2B2:  Catalytic Specificity and Identification of Four Active Site Residues. Biochemistry 36:39, pages 11697-11706.
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Greg R Harlow, You Ai He & James R Halpert. (1997) Functional interaction between amino-acid residues 242 and 290 in cytochromes P-450 2B1 and 2B11. Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology 1338:2, pages 259-266.
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Luet-Lok Wong, Andrew C. G. Westlake & Darren P. Nickerson. 1997. Metal Sites in Proteins and Models. Metal Sites in Proteins and Models 175 207 .
Kan He, You Ai He, Grazyna D. Szklarz, James R. Halpert & Maria Almira Correia. (1996) Secobarbital-mediated Inactivation of Cytochrome P450 2B1 and Its Active Site Mutants. Journal of Biological Chemistry 271:42, pages 25864-25872.
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Marc Desrochers, Maro Christou, Colin Jefcoate, Anne Belzil & Alan Anderson. (1996) New proteins in the rat CYP2B subfamily: Presence in liver microsomes of the constitutive CYP2B3 protein and the phenobarbital-inducible protein product of alternatively spliced CYP2B2 mRNA. Biochemical Pharmacology 52:8, pages 1311-1319.
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Marcel J. de Groot, Nico P. E. Vermeulen, Jeroen D. Kramer, Frédérique A. A. van Acker & Gabriëlle M. Donné-Op den Kelder. (1996) A Three-Dimensional Protein Model for Human Cytochrome P450 2D6 Based on the Crystal Structures of P450 101, P450 102, and P450 108. Chemical Research in Toxicology 9:7, pages 1079-1091.
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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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Mark D. Paulsen, John I. Manchester & Rick L. Ornstein. 1996. Cytochrome P450, Part B. Cytochrome P450, Part B 347 357 .
Thomas L Poulos. (1995) Cytochrome P450. Current Opinion in Structural Biology 5:6, pages 767-774.
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Claes Von Wachenfeldt & Eric F. Johnson. 1995. Cytochrome P450. Cytochrome P450 183 223 .

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