recent publications

• academic article

  • Shah, M. B., Wilderman, P. R., Liu, J., Jang, H. H., Zhang, Q. H., Stout, C. D., Halpert, J. R. Structural and biophysical characterization of human cytochromes P450 2B6 and 2A6 bound to volatile hydrocarbons: analysis and comparison Molecular Pharmacology  2015 87:649-659  DOI:10.1124/mol.114.097014  PMID:25585967  PMCID:PMC4366795
  • Shah, M. B., Kufareva, I., Pascual, J., Zhang, Q., Stout, C. D., Halpert, J. R. A structural snapshot of CYP2B4 in complex with paroxetine provides insights into ligand binding and clusters of conformational states Journal of Pharmacology and Experimental Therapeutics  2013 346:113-120  DOI:10.1124/jpet.113.204776  PMID:23633618  PMCID:PMC3684837
  • Zhang, H. M., Gay, S. C., Shah, M., Foroozesh, M., Liu, J. W., Osawa, Y., Zhang, Q. H., Stout, C. D., Halpert, J. R., Hollenberg, P. F. Potent mechanism-based inactivation of cytochrome p450 2b4 by 9-ethynylphenanthrene: Implications for allosteric modulation of cytochrome p450 catalysis Biochemistry  2013 52:355-364  DOI:10.1021/bi301567z  PMID:23276288  PMCID:PMC3568706
  • Lee, S. C., Bennett, B. C., Hong, W. X., Fu, Y., Baker, K. A., Marcoux, J., Robinson, C. V., Ward, A. B., Halpert, J. R., Stevens, R. C., Stout, C. D., Yeager, M. J., et al. Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins Proceedings of the National Academy of Sciences of the United States of America  2013 110:E1203-11  DOI:10.1073/pnas.1221442110  PMID:23479627  PMCID:PMC3612649
  • Wilderman, P. R., Shah, M. B., Jang, H. H., Stout, C. D., Halpert, J. R. Structural and thermodynamic basis of (+)-α-pinene binding to human cytochrome P450 2B6 Journal of the American Chemical Society  2013 135:10433-10440  DOI:10.1021/ja403042k  PMID:23786449  PMCID:PMC3754432
  • Shah, M. B., Jang, H. H., Zhang, Q. H., Stout, C. D., Halpert, J. R. X-ray crystal structure of the cytochrome p450 2b4 active site mutant f297a in complex with clopidogrel: Insights into compensatory rearrangements of the binding pocket Archives of Biochemistry and Biophysics  2013 530:64-72  DOI:10.1016/j.abb.2012.12.016  PMID:23296089  PMCID:PMC3580012
  • Shah, M. B., Wilderman, P. R., Pascual, J., Zhang, Q. H., Stout, C. D., Halpert, J. R. Conformational adaptation of human cytochrome p450 2b6 and rabbit cytochrome p450 2b4 revealed upon binding multiple amlodipine molecules Biochemistry  2012 51:7225-7238  DOI:10.1021/bi300894z  PMID:22909231  PMCID:PMC3485383
  • Wilderman, P. R., Gay, S. C., Jang, H. H., Zhang, Q. H., Stout, C. D., Halpert, J. R. Investigation by site-directed mutagenesis of the role of cytochrome p450 2b4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme FEBS Journal  2012 279:1607-1620  DOI:10.1111/j.1742-4658.2011.08411.x  PMID:22051155  PMCID:PMC3911823
  • Gay, S. C., Zhang, H. M., Wilderman, P. R., Roberts, A. G., Liu, T., Li, S., Lin, H. L., Zhang, Q. H., Woods, V. L., Stout, C. D., Hollenberg, P. F., Halpert, J. R. Structural analysis of mammalian cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene: insight into partial enzymatic activity Biochemistry  2011 50:4903-4911  DOI:10.1021/bi200482g  PMID:21510666  PMCID:PMC3105221
  • Shah, M. B., Pascual, J., Zhang, Q. H., Stout, C. D., Halpert, J. R. Structures of cytochrome p450 2b6 bound to 4-benzylpyridine and 4-(4-nitrobenzyl)pyridine: Insight into inhibitor binding and rearrangement of active site side chains Molecular Pharmacology  2011 80:1047-1055  DOI:10.1124/mol.111.074427  PMID:21875942  PMCID:PMC3228530
  • Gay, S. C., Shah, M. B., Talakad, J. C., Maekawa, K., Roberts, A. G., Wilderman, P. R., Sun, L., Yang, J. Y., Huelga, S. C., Hong, W. X., Zhang, Q. H., Stout, C. D., et al. Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution Molecular Pharmacology  2010 77:529-538  DOI:10.1124/mol.109.062570  PMID:20061448  PMCID:PMC2845937
  • Wilderman, P. R., Shah, M. B., Liu, T., Li, S., Hsu, S., Roberts, A. G., Goodlett, D. R., Zhang, Q. H., Woods, V. L., Stout, C. D., Halpert, J. R. Plasticity of cytochrome P450 2B4 as investigated by hydrogen-deuterium exchange mass spectrometry and X-ray crystallography Journal of Biological Chemistry  2010 285:38602-38611  DOI:10.1074/jbc.M110.180646  PMID:20880847  PMCID:PMC2992292
  • Gay, S. C., Roberts, A. G., Maekawa, K., Talakad, J. C., Hong, W. X., Zhang, Q. H., Stout, C. D., Halpert, J. R. Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel Biochemistry  2010 49:8709-8720  DOI:10.1021/bi100914z  PMID:20815363  PMCID:PMC3005796
  • Gay, S. C., Sun, L., Maekawa, K., Halpert, J. R., Stout, C. D. Crystal structures of cytochrome p450 2b4 in complex with the inhibitor 1-biphenyl-4-methyl-1h-imidazole: Ligand-induced structural response through alpha-helical repositioning Biochemistry  2009 48:4762-4771  DOI:10.1021/bi9003765  PMID:19397311  PMCID:PMC2764533
  • Zhao, Y. G., Sun, L., Muralidhara, B. K., Kumar, S., White, M. A., Stout, C. D., Halpert, J. R. Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome p4502b4 Biochemistry  2007 46:11559-11567  DOI:10.1021/bi7011614  PMID:17887776  PMCID:PMC2566820
  • Zhao, Y. H., White, M. A., Muralidhara, B. K., Sun, L., Halpert, J. R., Stout, C. D. Structure of microsomal cytochrome p4502b4 complexed with the antifungal drug bifonazole - insight into p450 conformational plasticity and membrane interaction Journal of Biological Chemistry  2006 281:5973-5981  DOI:10.1074/jbc.M511464200  PMID:16373351
  • Scott, E. E., White, M. A., He, Y. A., Johnson, E. F., Stout, C. D., Halpert, J. R. Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9-A resolution: insight into the range of P450 conformations and the coordination of redox partner binding Journal of Biological Chemistry  2004 279:27294-27301  DOI:10.1074/jbc.M403349200  PMID:15100217
  • Scott, E. E., He, Y. A., Wester, M. R., White, M. A., Chin, C. C., Halpert, J. R., Johnson, E. F., Stout, C. D. An open conformation of mammalian cytochrome P450 2B4 at 1.6-A resolution Proceedings of the National Academy of Sciences of the United States of America  2003 100:13196-13201  DOI:10.1073/pnas.2133986100  PMID:14563924  PMCID:PMC263748
  • Spatzenegger, M., Wang, Q. M., He, Y. Q., Wester, M. R., Johnson, E. F., Halpert, J. R. Amino acid residues critical for differential inhibition of CYP2B4, CYP2B5, and CYP2B1 by phenylimidazoles Molecular Pharmacology  2001 59:475-484  PMID:11179442
  • Halpert, J. R., Domanski, T. L., Adali, O., Biagini, C. P., Cosme, J., Dierks, E. A., Johnson, E. F., Jones, J. P., de Montellano, P. O., Philpot, R. M., Sibbesen, O., Wyatt, W. K., et al. Structure-function of cytochromes P450 and flavin-containing monooxygenases: implications for drug metabolism Drug Metabolism and Disposition  1998 26:1223-1231  PMID:9860932
  • Klekotka, P. A., Richardson, T. H., Johnson, E. F., Halpert, J. R. Inactivation of Escherichia-coli expressed rabbit cytochrome-P-450 2C enzymes by 17-beta-substituted steroids Journal of Pharmacology and Experimental Therapeutics  1995 274:1450-1455  PMID:7562521
  • Halpert, J. R., Jaw, J. Y., Johnson, E. F. Design of specific mechanism-based inactivators of hepatic and adrenal microsomal cytochromes-P-450 responsible for progesterone 21-hydroxylation Drug Metabolism Reviews  1989 20:645-655  DOI:10.3109/03602538909103567  PMID:2680401