Publications on Toxin-Antitoxin Systems



Muthuramalingam, M., White, J.C., Murphy, T., Ames, J.R., Bourne, C.R.  (2018) The toxin from a ParDE toxin-antitoxin system found in Pseudomonas aeruginosa offers protection to cells challenged with anti-gryase antibiotics.  Molecular Microbiology ePub 11/14/18 (link)




Muthuramalingam, M., White, J.C., Bourne, C.R. (2016) Toxin-Antitoxin Modules Are Pliable Switches Activated by Multiple Protease Pathways.  Toxins (Basel) 8:e214  PMCID: PMC4963847



Publications on dihydrofolate reductase (DHFR) inhibitors:

Nammalwar, B., Bourne, C.R., Wakeham, N., Bourne, P.C., Barrow, E.W., Muddala, N.P, Bunce, R.A., Berlin, K.D., Barrow, W.W.  (2015) Modified 2,4-diaminopyrimidine-based dihydrofolatereductase inhibitors as potential drug scaffolds against Bacillus anthracis.  Bioorg. Med. Chem. 23:203-11.  PMCID: PMC4278362

Kobayashi, M., Tomohiro, K., Koseki, Y., Bourne, C.R., Barrow, W., Aoki, S. (2014) Identification of novel potential antibiotics against Staphylococcus using structure-based drug screening targeting dihydrofolate reductase.  J. of Chemical Information and Modelling, 28:1242-53.  PMCID: PMC4334291

Nammalwar, B., Muddala, N.P., Bourne, C.R., Henry, M., Bourne, P.C., Bunce, R.A., Barrow, E.W., Berlin, K.D., Barrow, W.W. (2014) Synthesis and biological evaluation of 2,4-diaminopyrimidine-based antifolate drugs against Bacillus anthracis. Macromolecules 19:3231.  PMCID: PMC4016962

Bourne, C.R., Wakeham, N., Webb, N. Nammalwar, B., Bunce, R.A., Berlin, K.D., Barrow, W.W. (2014) Structure and competitive substrate inhibition of dihydrofolate reductase from Enterococcus faecalis reveals restrictions to co-factor docking.  Biochemistry 53:1228-1238.  PMCID: PMC3985486

Bourne, C.R. (2014) Utility of the biosynthetic folate pathway for targets in antimicrobial discovery. Antibiotics 3(1): 1-28PMCID:PMC4790348


Bourne, C.R., Wakeham, N., Nammalwar, B., Tseitin, V., Bourne, P.C., Barrow, E.W., Ramnarayan, K., Bunce, R.A., Berlin, K.D., Barrow, W.W. (2013) Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.  Biochimica et Biophysica Acta – Proteins and Proteomics epub Sept. 20, 2012.  1834:46-52.  PMCID: PMC3530638

Nammalwar, B., Bunce, R. A., Berlin, K. D., Bourne, C. R., Bourne, P. C., Barrow, E. W., Barrow, W. W.  (2013) Comparative Study of the Frech Catalyst with Two Conventional Catalysts in the Heck Synthesis of 2,4-Diaminopyrimidine-based Antibiotics. Organic Preparations and Procedures International. 45(1):66-71.  PMCID: PMC3683996

Nammalwar, B., Bourne, C.R., Bunce, R.A., Wakeham, N., Bourne, P.C., Ramnarayan, K., Mylvaganam, S., Berlin, K.D., Barrow, E.W., Barrow, W.W.  (2012)  Inhibition of bacterial dihydrofolate reductase by 6-Alkyl-2,4-diaminopyrimidines. ChemMedChem epub Aug. 28.  7:1974-82.  PMCID: PMC3570588

*Featured on inside cover figure

Nammalwar, B., Bunce, R.A., Berlin, K.D., Bourne, C.R., Bourne, P.C., Barrow, E.W., Barrow, W.W.  (2012) Synthesis and biological activity of substituted 2,4-diaminopyrimidines that inhibit Bacillus anthracis.  European Journal of Medicinal Chemistry 54:387-96.  PMCID: PMC3408765

Nammalwar, B., Bunce, R. A., Berlin, K. D., Bourne, C. R., Bourne, P. C., Barrow, E. W., Barrow, W. W. (2012) Microwave-assisted Heck synthesis of substituted 2,4-diaminopyrimidine-based antibiotics. Organic Preparations and Procedures International. 44(3):281-87.  PMC3691060

Nammalwar, B., Bunce, R.A., Berlin, K.D., Bourne, C.R., Bourne, P.C., Barrow, E.W., Barrow, W.W.  (2012) Approaches to iodinated derivatives of vanillin and isovanillin.   Organic Preparations and Procedures International. 44(2):146-152.  PMCID: PMC3691065

Bourne, C.R., Barrow, E.W., Bunce, R.A., Bourne, P.C., Berlin, K.D., Barrow, W.W.  (2010) Inhibition of antibiotic resistant Staphylococcus aureus by the broad-spectrum dihydrofolate reductase inhibitor RAB1.  Antimicrobial Agents and Chemotherapy 54(9): 3825-33. PMCID: PMC2934973


Bourne, C. R., Bunce, R. A., Bourne, P. C., Berlin, K. D., Barrow, E. W., Barrow, W. W.  (2009) Crystal structure of Bacillus anthracis dihydrofolate reductase with the dihydrophthalazine-based trimethoprim derivative RAB1 provides a structural explanation of potency and selectivity.  Antimicrobial Agents and Chemotherapy 53(7): 3065-73.  PMCID: PMC2704665

Publications with phenotypic screening:

Barrow, E.W., Clinkenbeard, P.A., Duncan-Decocq, R.A., Perteet, R.F., Hill, K.D., Bourne, P.C.,  Valderas, M.W., Bourne, C.R., Clarkson, N.L., Clinkenbeard, K.D., Barrow, W.W.  (2012) High-throughput screening of a diversity collection using biodefense category A and B Priority pathogens.  Journal of Biomolecular Screening 17(7):946-56.  PMCID: PMC3700734

Bourne, C.R., Wakeham, N., Bunce, R.A., Nammalwar, B., Berlin, K.D., Barrow, W.W.  (2012) Classifying compound mechanism of action for linking whole cell phenotypes to molecular targets.  Journal of Molecular Recognition 25:216-23.  PMCID: PMC3703735

To reproduce this calculation method, the following files are available:  README_BiologCalcs  Omnilog_output_example  Proc_Stds_3conc_SUMdV_generic  Database_SUMdVvalues  Database_SUMdVvalues_culled

Publications in Hepatitis B virus structural virology and inhibition:

Bourne, C. R., Katen, S. P., Fulz, M. R., Packianathan, C., Zlotnick, A.  (2009) A mutant Hepatitis B virus core protein mimics inhibitors of icosahedral capsid self-assembly.  Biochemistry, 48(8): 1736-42. PMCID: PMC2880625

Bourne, C., Lee, S., Venkataiah, B. Lee, A., Korba, B., Finn, M.G., Zlotnick, A. (2008) Small-molecule effectors of Hepatitis B virus capsid assembly give insight into virus lifecycle.  Journal of Virology 82(20): 10262-70. PMCID: PMC2566253

Zlotnick, A., Lee, A., Bourne, C. R., Johnson, J. M., Domanico, P. L., Stray, S. J.  (2007) In vitro screening for molecules that affect virus capsid assembly and other protein association reactions.  Nature Protocols 2(3): 490-98. PMCID: PMC2099249
*Cover figure from this manuscript



Bourne, C. R., Finn, M. G., Zlotnick, A.  (2006) Global structural changes in hepatitis B capsids induced by the assembly effector HAP1. Journal of Virology 80(22): 11055-61. PMCID: PMC1642186

Stray, S. J., Bourne, C. R., Punna, S., Lewis, W. G., Finn, M. G., Zlotnick, A.  (2005). A heteroaryldihydropyrimidine activates and can misdirect Hepatitis B virus capsid assembly. Proceedings of the National Academies of Science USA, 102(23): 8138-40. PMCID: PMC1149411

Publications from earlier work and graduate studies:

Ramsland, P. A., Terzyan, S. S., Cloud, G., Bourne, C. R., Farrugia, W., Tribbick, G., Geysen, H. M., Moomaw, C. R., Slaughter, C. A., Edmundson, A. B. (2006).  Crystal structure of a glycosylated Fab from an IgM cryoglobulin with properties of a natural proteolytic antibody. Biochemical Journal, 395(3): 473-81. PMCID: PMC1462693

Terzyan, S. S., Bourne, C. R., Ramsland, P. A., Bourne, P. C., Edmundson, A. B.  (2003). Comparison of the three-dimensional structures of a human Bence-Jones dimer crystallized on earth and aboard U.S. Space Shuttle Mission STS-95.  Journal of Molecular Recognition, 16 (2): 83-90.

Bourne, P. C., Ramsland, P. A., Shan, L., Fan, Z.-C., DeWitt, C. R., Shultz, B. B., Terzyan, S. S., Moomaw, C. R., Slaughter, C. A., Guddat, L. W., and Edmundson, A. B.  (2002). Three-dimensional structure of an immunoglobulin light-chain dimer with amyloidogenic properties.  Acta Crystallographica, D58, 815-823. 

Ramsland, P. A., Upshaw, J. L., Shultz, B. B., DeWitt, C. R., Chissoe, W. F., Raison, R. L., Edmundson, A. B. (2001).  Interconversion of different crystal forms of Fabs from human IgM cryoglobulins.  Journal of Crystal Growth, 232, 204-214.

Broyles, R. H., Belegu, V., DeWitt, C. R., Shah, S. N., Stewart, C. A., Pye, Q. N., Floyd, R. A.  (2001).  Specific repression of beta-globin promoter activity by nuclear ferritin.  Proceedings of the National Academies of Science USA, 98(16), 9145-9150. PMC55387

Alvarado, U. R., DeWitt, C. R., Shultz, B. B., Ramsland, P. A., Edmundson, A. B. (2001).  A method for growing protein crystals in capillary tubes.  Journal of Crystal Growth, 233, 407-414.

Edmundson, A. B., DeWitt, C. R., Goldsteen, B. Z., Ramsland, P.A. (1999).  Packing motifs as predictors of the propensity of antibody fragments to crystallize.  Journal of Crystal Growth, 196, 276-284.

Edmundson, A. B., Goldsteen, B. Z., DeWitt, C. R., Fan, Z.-C., Shan, L., Faber, C., Hanson, B. L., Borrebaeck, C. A. K. (1998).  Designing Fabs and Fvs with propensities to crystallize. The Immunologist, 6, 54-60.