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2018

Journal Article

The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment

Condic-Jurkic, Karmen, Subramanian, Nandhitha, Mark, Alan E. and O'Mara, Megan L. (2018). The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment. PloS One, 13 (1) e0191882, 1-24. doi: 10.1371/journal.pone.0191882

The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment

2017

Journal Article

Capturing the dynamics of a spring-loaded protein

Mitchell, Joshua A. and O'Mara, Megan L. (2017). Capturing the dynamics of a spring-loaded protein. Structure, 25 (7), 963-964. doi: 10.1016/j.str.2017.06.008

Capturing the dynamics of a spring-loaded protein

2017

Journal Article

A potential new, stable state of the E-cadherin strand-swapped dimer in solution

Schumann-Gillett, Alexandra, Mark, Alan E., Deplazes, Evelyne and O'Mara, Megan L. (2017). A potential new, stable state of the E-cadherin strand-swapped dimer in solution. European Biophysics Journal, 47 (1), 59-67. doi: 10.1007/s00249-017-1229-3

A potential new, stable state of the E-cadherin strand-swapped dimer in solution

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 study

Thomas, 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

Hydrogen bond-driven self–assembly between amidinium cations and carboxylate anions: a combined molecular dynamics, NMR spectroscopy, and single crystal X-ray diffraction study

2017

Book Chapter

Method for developing optical sensors using a synthetic dye-fluorescent protein FRET pair and computational modeling and assessment

Mitchell, Joshua A., Zhang, William H., Herde, Michel K., Henneberger, Christian, Janovjak, Harald, O’Mara, Megan L. and Jackson, Colin J. (2017). Method for developing optical sensors using a synthetic dye-fluorescent protein FRET pair and computational modeling and assessment. Synthetic Protein Switches: Methods and Protocols. (pp. 89-99) New York, NY, United States: Humana Press. doi: 10.1007/978-1-4939-6940-1_6

Method for developing optical sensors using a synthetic dye-fluorescent protein FRET pair and computational modeling and assessment

2017

Journal Article

Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate binding

Anandan, 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

Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate binding

2017

Book Chapter

Thylakoid ultrastructure: visualizing the photosynthetic machinery

Steinbeck, Janina, O’Mara, Megan L., Ross, Ian L., Stahlberg, Henning and Hankamer, Ben (2017). Thylakoid ultrastructure: visualizing the photosynthetic machinery. Chlamydomonas: Biotechnology and Biomedicine. (pp. 149-191) edited by Michael Hippler. Cham, Switzerland: Springer International Publishing. doi: 10.1007/978-3-319-66360-9_7

Thylakoid ultrastructure: visualizing the photosynthetic machinery

2017

Journal Article

Synthetically controlling dendrimer flexibility improves delivery of large plasmid DNA

Kretzmann, 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

Synthetically controlling dendrimer flexibility improves delivery of large plasmid DNA

2017

Journal Article

Simple design of an enzyme-inspired supported catalyst based on a catalytic triad

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). 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

Simple design of an enzyme-inspired supported catalyst based on a catalytic triad

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

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))

2017

Journal Article

Location of contact residues in pharmacologically distinct drug binding sites on P-glycoprotein

Mittra, 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

Location of contact residues in pharmacologically distinct drug binding sites on P-glycoprotein

2016

Journal Article

Rangefinder: a semisynthetic FRET sensor design algorithm

Mitchell, 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

Rangefinder: a semisynthetic FRET sensor design algorithm

2016

Journal Article

Hydrophobic shielding drives catalysis of hydride transfer in a family of F420H2-dependent enzymes

Mohamed, 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

Hydrophobic shielding drives catalysis of hydride transfer in a family of F420H2-dependent enzymes

2016

Journal Article

Rv2074 is a novel F420H2-dependent biliverdin reductase in Mycobacterium tuberculosis

Ahmed, 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

Rv2074 is a novel F420H2-dependent biliverdin reductase in Mycobacterium tuberculosis

2016

Journal Article

Correction: Identification of a 3rd Na+ binding site of the glycine transporter, GlyT2

Subramanian, 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

Correction: Identification of a 3rd Na+ binding site of the glycine transporter, GlyT2

2016

Journal Article

Identification of a 3rd Na+ binding site of the glycine transporter, GlyT2

Subramanian, 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

Identification of a 3rd Na+ binding site of the glycine transporter, GlyT2

2016

Journal Article

Structural and dynamic perspectives on the promiscuous transport activity of P-glycoprotein

Subramanian, 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

Structural and dynamic perspectives on the promiscuous transport activity of P-glycoprotein

2016

Journal Article

Understanding the accumulation of P-glycoprotein substrates within cells: The effect of cholesterol on membrane partitioning

Subramanian, 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

Understanding the accumulation of P-glycoprotein substrates within cells: The effect of cholesterol on membrane partitioning

2016

Conference Publication

Going downstream - how does GH binding activate JAK2

Brooks, Andrew, Dai, W., O'Mara, M. L., Abankwa, D., Chhabra, Y., Pelekanos, R. A., Gardon, O., Tunny, K. A., Blucher, K. M., Morton, C. J., Parker, M. W., Sierecki, E., Gambin, Y., Gomez, G. A., Alexandrov, K., Wilson, I. A., Doxastakis, M., Mark, A. E. and Waters, M. J. (2016). Going downstream - how does GH binding activate JAK2. Annual Scientific Meeting of the Endocrine Society of Australia, Adelaide, Australia, 23-26 August, 2015. Chichester, West Sussex, United Kingdom: Wiley-Blackwell Publishing. doi: 10.1111/cen.13010

Going downstream - how does GH binding activate JAK2

2016

Conference Publication

Mechanism of JAK2 Activation by the Archetype Class I Cytokine Receptor, the Growth Hormone Receptor

Brooks, Andrew J., O’Mara, Megan L., Dai, Wei, Abankwa, Daniel, Chhabra, Yash, Tunny, Kathryn A., Parker, Michael W., Sierecki, Emma, Gambin, Yann, Gomez, Guillermo A., Haxholm, Gitte W., Nikolajsen, Louise F., Doxastakis, Manolis, Mark, Alan E. and Waters, Michael J. (2016). Mechanism of JAK2 Activation by the Archetype Class I Cytokine Receptor, the Growth Hormone Receptor. Biophysical Meeting, Los Angeles, CA, United States, 27 February - 2 March 2016. CAMBRIDGE: CELL PRESS. doi: 10.1016/j.bpj.2015.11.233

Mechanism of JAK2 Activation by the Archetype Class I Cytokine Receptor, the Growth Hormone Receptor