|
2017 Journal Article Hydrogen bond-driven self–assembly between amidinium cations and carboxylate anions: a combined molecular dynamics, NMR spectroscopy, and single crystal X-ray diffraction studyThomas, Michael, Anglim Lagones, Thomas, Judd, Martyna, Morshedi, Mahbod, O'Mara, Megan L. and White, Nicholas G. (2017). Hydrogen bond-driven self–assembly between amidinium cations and carboxylate anions: a combined molecular dynamics, NMR spectroscopy, and single crystal X-ray diffraction study. Chemistry - An Asian Journal, 12 (13), 1587-1597. doi: 10.1002/asia.201700406 |
|
2017 Journal Article Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate bindingAnandan, Anandhi, Evans, Genevieve L., Condic-Jurkic, Karmen, O'Mara, Megan L., John, Constance M., Phillips, Nancy J., Jarvis, Gary A., Wills, Siobhan S., Stubbs, Keith A., Moraes, Isabel, Kahler, Charlene M. and Vrielink, Alice (2017). Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate binding. Proceedings of the National Academy of Sciences of the United States of America, 114 (9), 2218-2223. doi: 10.1073/pnas.1612927114 |
|
2017 Journal Article Simple design of an enzyme-inspired supported catalyst based on a catalytic triadNothling, Mitchell D., Ganesan, Aravindhan, Condic-Jurkic, Karmen, Pressly, Eric, Davalos, Ashley, Gotrik, Michael R., Xiao, Zeyun, Khoshdel, Ezat, Hawker, Craig J., O'Mara, Megan L., Coote, Michelle L. and Connal, Luke A. (2017). Simple design of an enzyme-inspired supported catalyst based on a catalytic triad. Chem, 2 (5), 732-745. doi: 10.1016/j.chempr.2017.04.004 |
|
2017 Journal Article Erratum: Simple Design of an Enzyme-Inspired Supported Catalyst Based on a Catalytic Triad (Chem (2017) 2(5) (732–745) (S2451929417301705) (10.1016/j.chempr.2017.04.004))Nothling, Mitchell D., Ganesan, Aravindhan, Condic-Jurkic, Karmen, Pressly, Eric, Davalos, Ashley, Gotrik, Michael R., Xiao, Zeyun, Khoshdel, Ezat, Hawker, Craig J., O'Mara, Megan L., Coote, Michelle L. and Connal, Luke A. (2017). Erratum: Simple Design of an Enzyme-Inspired Supported Catalyst Based on a Catalytic Triad (Chem (2017) 2(5) (732–745) (S2451929417301705) (10.1016/j.chempr.2017.04.004)). Chem, 2 (6), 893-894. doi: 10.1016/j.chempr.2017.05.015 |
|
2017 Journal Article Synthetically controlling dendrimer flexibility improves delivery of large plasmid DNAKretzmann, Jessica A., Ho, Diwei, Evans, Cameron W., Plani-Lam, Janice H. C., Garcia-Bloj, Benjamin, Mohamed, A. Elaaf, O'Mara, Megan L., Ford, Ethan, Tan, Dennis E. K., Lister, Ryan, Blancafort, Pilar, Norret, Marck and Iyer, K. Swaminathan (2017). Synthetically controlling dendrimer flexibility improves delivery of large plasmid DNA. Chemical Science, 8 (4), 2923-2930. doi: 10.1039/c7sc00097a |
|
2017 Journal Article Location of contact residues in pharmacologically distinct drug binding sites on P-glycoproteinMittra, Rituparna, Pavy, Megan, Subramanian, Nanditha, George, Anthony M., O'Mara, Megan L., Kerr, Ian D. and Callaghan, Richard (2017). Location of contact residues in pharmacologically distinct drug binding sites on P-glycoprotein. Biochemical Pharmacology, 123, 19-28. doi: 10.1016/j.bcp.2016.10.002 |
|
2016 Journal Article Rangefinder: a semisynthetic FRET sensor design algorithmMitchell, Joshua A., Whitfield, Jason H., Zhang, William H., Henneberger, Christian, Janovjak, Harald, O'Mara, Megan L. and Jackson, Colin J. (2016). Rangefinder: a semisynthetic FRET sensor design algorithm. ACS Sensors, 1 (11), 1286-1290. doi: 10.1021/acssensors.6b00576 |
|
2016 Journal Article Hydrophobic shielding drives catalysis of hydride transfer in a family of F420H2-dependent enzymesMohamed, A. Elaaf, Condic-Jurkic, Karmen, Ahmed, F. Hafna, Yuan, Peng, O'Mara, Megan L., Jackson, Colin J. and Coote, Michelle L. (2016). Hydrophobic shielding drives catalysis of hydride transfer in a family of F420H2-dependent enzymes. Biochemistry, 55 (49), 6908-6918. doi: 10.1021/acs.biochem.6b00683 |
|
2016 Journal Article Rv2074 is a novel F420H2-dependent biliverdin reductase in Mycobacterium tuberculosisAhmed, F. Hafna, Mohamed, A. Elaaf, Carr, Paul D., Lee, Brendon M., Condic-Jurkic, Karmen, O'Mara, Megan L. and Jackson, Colin J. (2016). Rv2074 is a novel F420H2-dependent biliverdin reductase in Mycobacterium tuberculosis. Protein Science, 25 (9), 1692-1709. doi: 10.1002/pro.2975 |
|
2016 Journal Article Correction: Identification of a 3rd Na+ binding site of the glycine transporter, GlyT2Subramanian, Nandhitha, Scopelliti, Amanda J., Carland, Jane E., Ryan, Renae M., O'Mara, Megan L. and Vandenberg, Robert J. (2016). Correction: Identification of a 3rd Na+ binding site of the glycine transporter, GlyT2. PLoS One, 11 (7) e0159896, e0159896. doi: 10.1371/journal.pone.0159896 |
|
2016 Journal Article Identification of a 3rd Na+ binding site of the glycine transporter, GlyT2Subramanian, Nandhitha, Scopelitti, Amanda J., Carland, Jane E., Ryan, Renae M., O'Mara, Megan L. and Vandenberg, Robert J. (2016). Identification of a 3rd Na+ binding site of the glycine transporter, GlyT2. PLoS ONE, 11 (6) e0157583, e0157583. doi: 10.1371/journal.pone.0157583 |
|
2016 Journal Article Structural and dynamic perspectives on the promiscuous transport activity of P-glycoproteinSubramanian, Nandhitha, Condic-Jurkic, Karmen and O'Mara, Megan L. (2016). Structural and dynamic perspectives on the promiscuous transport activity of P-glycoprotein. Neurochemistry International, 98, 146-152. doi: 10.1016/j.neuint.2016.05.005 |
|
2016 Journal Article Understanding the accumulation of P-glycoprotein substrates within cells: The effect of cholesterol on membrane partitioningSubramanian, Nandhitha, Schumann-Gillett, Alexandra, Mark, Alan E. and O'Mara, Megan L. (2016). Understanding the accumulation of P-glycoprotein substrates within cells: The effect of cholesterol on membrane partitioning. Biochimica et Biophysica Acta: Biomembranes, 1858 (4), 776-782. doi: 10.1016/j.bbamem.2015.12.025 |
|
2015 Journal Article Characterizing the conformational dynamics of metal-free PsaA usingmolecular dynamics simulations and electron paramagnetic resonance spectroscopyDeplazes, Evelyne, Begg, Stephanie L., van Wonderen, Jessica H., Campbell, Rebecca, Kobe, Bostjan, Paton, James C., MacMillan, Fraser, McDevitt, Christopher A. and O'Mara, Megan L. (2015). Characterizing the conformational dynamics of metal-free PsaA usingmolecular dynamics simulations and electron paramagnetic resonance spectroscopy. Biophysical Chemistry, 207, 51-60. doi: 10.1016/j.bpc.2015.08.004 |
|
2015 Journal Article Molecular basis for the interaction of the mammalian amino acid transporters B0AT1 and B0AT3 with their ancillary protein collectrinFairweather, Stephen J., Broeer, Angelika, Subramanian, Nandhitha, Turner, Ennrah, Cheng, Qi, Schmoll, Dieter, O'Mara, Megan L. and Broeer, Stefan (2015). Molecular basis for the interaction of the mammalian amino acid transporters B0AT1 and B0AT3 with their ancillary protein collectrin. Journal of Biological Chemistry, 290 (40), 24308-24325. doi: 10.1074/jbc.M115.648519 |
|
2015 Journal Article Identification of possible binding sites for morphine and nicardipine on the multidrug transporter P-Glycoprotein using umbrella sampling techniquesSubramanian, Nandhitha, Condic-Jurkic, Karmen, Mark, Alan E. and O'Mara, Megan L. (2015). Identification of possible binding sites for morphine and nicardipine on the multidrug transporter P-Glycoprotein using umbrella sampling techniques. Journal of Chemical Information and Modeling, 55 (6), 1202-1217. doi: 10.1021/ci5007382 |
|
2015 Journal Article Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniaeBegg, Stephanie L., Eijkelkamp, Bart A., Luo, Zhenyao, Couñago, Rafael M., Morey, Jacqueline R., Maher, Megan J., Ong, Cheryl-lynn Y., McEwan, Alastair G., Kobe, Bostjan, O'Mara, Megan L., Paton, James C. and McDevitt, Christopher A. (2015). Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae. Nature Communications, 6 (6418) 6418, 1-11. doi: 10.1038/ncomms7418 |
|
2014 Journal Article Mechanism of activation of protein kinase JAK2 by the growth hormone receptorBrooks, Andrew J., Dai, Wei, O’Mara, Megan L., Abankwa, Daniel, Chhabra, Yash, Pelekanos, Rebecca A., Gardon, Olivier, Tunny, Kathryn A., Blucher, Kristopher M., Morton, Craig J., Parker, Michael W., Sierecki, Emma, Gambin, Yann, Gomez, Guillermo A., Alexandrov, Kirill, Wilson, Ian A., Doxastakis, Manolis, Mark, Alan E. and Waters, Michael J. (2014). Mechanism of activation of protein kinase JAK2 by the growth hormone receptor. Science, 344 (6185) 1249783, 1249783.1-1249783.12. doi: 10.1126/science.1249783 |
|
2014 Journal Article The central cavity of ABCB1 undergoes alternating access during ATP hydrolysisvan Wonderen, Jessica H., McMahon, Róisin M., O'Mara, Megan L., McDevitt, Christopher A., Thomson, Andrew J., Kerr, Ian D., MacMillan, Fraser and Callaghan, Richard (2014). The central cavity of ABCB1 undergoes alternating access during ATP hydrolysis. FEBS Journal, 281 (9), 2190-2201. doi: 10.1111/febs.12773 |
|
2014 Journal Article Structural characterization of two metastable ATP-bound states of P-glycoproteinO'Mara, Megan L. and Mark, Alan E. (2014). Structural characterization of two metastable ATP-bound states of P-glycoprotein. PLoS One, 9 (3) e91916, e91916.1-e91916.14. doi: 10.1371/journal.pone.0091916 |
