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Items: 48


Mutation p.R356Q in the Collybistin Phosphoinositide Binding Site Is Associated With Mild Intellectual Disability.

Chiou TT, Long P, Schumann-Gillett A, Kanamarlapudi V, Haas SA, Harvey K, O'Mara ML, De Blas AL, Kalscheuer VM, Harvey RJ.

Front Mol Neurosci. 2019 Mar 12;12:60. doi: 10.3389/fnmol.2019.00060. eCollection 2019.


Probing the Pharmacological Binding Sites of P-Glycoprotein Using Umbrella Sampling Simulations.

Subramanian N, Schumann-Gillett A, Mark AE, O'Mara ML.

J Chem Inf Model. 2019 May 28;59(5):2287-2298. doi: 10.1021/acs.jcim.8b00624. Epub 2019 Jan 2.


Lipid-Based Inhibitors Act Directly on GlyT2.

Schumann-Gillett A, O'Mara ML.

ACS Chem Neurosci. 2019 Mar 20;10(3):1668-1678. doi: 10.1021/acschemneuro.8b00586. Epub 2018 Dec 17.


The effects of oxidised phospholipids and cholesterol on the biophysical properties of POPC bilayers.

Schumann-Gillett A, O'Mara ML.

Biochim Biophys Acta Biomembr. 2019 Jan;1861(1):210-219. doi: 10.1016/j.bbamem.2018.07.012. Epub 2018 Jul 25.


Is protein structure enough? A review of the role of lipids in SLC6 transporter function.

Schumann-Gillett A, Blyth MT, O'Mara ML.

Neurosci Lett. 2019 May 1;700:64-69. doi: 10.1016/j.neulet.2018.05.020. Epub 2018 May 16. Review.


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

Condic-Jurkic K, Subramanian N, Mark AE, O'Mara ML.

PLoS One. 2018 Jan 25;13(1):e0191882. doi: 10.1371/journal.pone.0191882. eCollection 2018.


Molecular Determinants for Substrate Interactions with the Glycine Transporter GlyT2.

Carland JE, Thomas M, Mostyn SN, Subramanian N, O'Mara ML, Ryan RM, Vandenberg RJ.

ACS Chem Neurosci. 2018 Mar 21;9(3):603-614. doi: 10.1021/acschemneuro.7b00407. Epub 2017 Nov 27.


Capturing the Dynamics of a Spring-Loaded Protein.

Mitchell JA, O'Mara ML.

Structure. 2017 Jul 5;25(7):963-964. doi: 10.1016/j.str.2017.06.008.


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

Schumann-Gillett A, Mark AE, Deplazes E, O'Mara ML.

Eur Biophys J. 2018 Jan;47(1):59-67. doi: 10.1007/s00249-017-1229-3. Epub 2017 Jun 15.


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 M, Anglim Lagones T, Judd M, Morshedi M, O'Mara ML, White NG.

Chem Asian J. 2017 Jul 4;12(13):1587-1597. doi: 10.1002/asia.201700406. Epub 2017 May 23.


Synthetically controlling dendrimer flexibility improves delivery of large plasmid DNA.

Kretzmann JA, Ho D, Evans CW, Plani-Lam JHC, Garcia-Bloj B, Mohamed AE, O'Mara ML, Ford E, Tan DEK, Lister R, Blancafort P, Norret M, Iyer KS.

Chem Sci. 2017 Apr 1;8(4):2923-2930. doi: 10.1039/c7sc00097a. Epub 2017 Jan 27.


Method for Developing Optical Sensors Using a Synthetic Dye-Fluorescent Protein FRET Pair and Computational Modeling and Assessment.

Mitchell JA, Zhang WH, Herde MK, Henneberger C, Janovjak H, O'Mara ML, Jackson CJ.

Methods Mol Biol. 2017;1596:89-99. doi: 10.1007/978-1-4939-6940-1_6.


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

Anandan A, Evans GL, Condic-Jurkic K, O'Mara ML, John CM, Phillips NJ, Jarvis GA, Wills SS, Stubbs KA, Moraes I, Kahler CM, Vrielink A.

Proc Natl Acad Sci U S A. 2017 Feb 28;114(9):2218-2223. doi: 10.1073/pnas.1612927114. Epub 2017 Feb 13.


Hydrophobic Shielding Drives Catalysis of Hydride Transfer in a Family of F420H2-Dependent Enzymes.

Mohamed AE, Condic-Jurkic K, Ahmed FH, Yuan P, O'Mara ML, Jackson CJ, Coote ML.

Biochemistry. 2016 Dec 13;55(49):6908-6918. Epub 2016 Nov 30.


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

Mittra R, Pavy M, Subramanian N, George AM, O'Mara ML, Kerr ID, Callaghan R.

Biochem Pharmacol. 2017 Jan 1;123:19-28. doi: 10.1016/j.bcp.2016.10.002. Epub 2016 Oct 8.


Correction: Identification of a 3rd Na+ Binding Site of the Glycine Transporter, GlyT2.

Subramanian N, Scopelliti AJ, Carland JE, Ryan RM, O'Mara ML, Vandenberg RJ.

PLoS One. 2016 Jul 19;11(7):e0159896. doi: 10.1371/journal.pone.0159896. eCollection 2016.


Rv2074 is a novel F420 H2 -dependent biliverdin reductase in Mycobacterium tuberculosis.

Ahmed FH, Mohamed AE, Carr PD, Lee BM, Condic-Jurkic K, O'Mara ML, Jackson CJ.

Protein Sci. 2016 Sep;25(9):1692-709. doi: 10.1002/pro.2975. Epub 2016 Jul 17.


Identification of a 3rd Na+ Binding Site of the Glycine Transporter, GlyT2.

Subramanian N, Scopelitti AJ, Carland JE, Ryan RM, O'Mara ML, Vandenberg RJ.

PLoS One. 2016 Jun 23;11(6):e0157583. doi: 10.1371/journal.pone.0157583. eCollection 2016. Erratum in: PLoS One. 2016;11(7):e0159896.


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

Subramanian N, Condic-Jurkic K, O'Mara ML.

Neurochem Int. 2016 Sep;98:146-52. doi: 10.1016/j.neuint.2016.05.005. Epub 2016 May 12. Review.


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

Subramanian N, Schumann-Gillett A, Mark AE, O'Mara ML.

Biochim Biophys Acta. 2016 Apr;1858(4):776-82. doi: 10.1016/j.bbamem.2015.12.025. Epub 2015 Dec 23.


Characterizing the conformational dynamics of metal-free PsaA using molecular dynamics simulations and electron paramagnetic resonance spectroscopy.

Deplazes E, Begg SL, van Wonderen JH, Campbell R, Kobe B, Paton JC, MacMillan F, McDevitt CA, O'Mara ML.

Biophys Chem. 2015 Dec;207:51-60. doi: 10.1016/j.bpc.2015.08.004. Epub 2015 Sep 3.


Molecular basis for the interaction of the mammalian amino acid transporters B0AT1 and B0AT3 with their ancillary protein collectrin.

Fairweather SJ, Bröer A, Subramanian N, Tumer E, Cheng Q, Schmoll D, O'Mara ML, Bröer S.

J Biol Chem. 2015 Oct 2;290(40):24308-25. doi: 10.1074/jbc.M115.648519. Epub 2015 Aug 3.


Identification of Possible Binding Sites for Morphine and Nicardipine on the Multidrug Transporter P-Glycoprotein Using Umbrella Sampling Techniques.

Subramanian N, Condic-Jurkic K, Mark AE, O'Mara ML.

J Chem Inf Model. 2015 Jun 22;55(6):1202-17. doi: 10.1021/ci5007382. Epub 2015 May 18.


Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.

Begg SL, Eijkelkamp BA, Luo Z, Couñago RM, Morey JR, Maher MJ, Ong CL, McEwan AG, Kobe B, O'Mara ML, Paton JC, McDevitt CA.

Nat Commun. 2015 Mar 3;6:6418. doi: 10.1038/ncomms7418.


Mechanism of activation of protein kinase JAK2 by the growth hormone receptor.

Brooks AJ, Dai W, O'Mara ML, Abankwa D, Chhabra Y, Pelekanos RA, Gardon O, Tunny KA, Blucher KM, Morton CJ, Parker MW, Sierecki E, Gambin Y, Gomez GA, Alexandrov K, Wilson IA, Doxastakis M, Mark AE, Waters MJ.

Science. 2014 May 16;344(6185):1249783. doi: 10.1126/science.1249783.


Structural characterization of two metastable ATP-bound states of P-glycoprotein.

O'Mara ML, Mark AE.

PLoS One. 2014 Mar 14;9(3):e91916. doi: 10.1371/journal.pone.0091916. eCollection 2014.


The central cavity of ABCB1 undergoes alternating access during ATP hydrolysis.

van Wonderen JH, McMahon RM, O'Mara ML, McDevitt CA, Thomson AJ, Kerr ID, MacMillan F, Callaghan R.

FEBS J. 2014 May;281(9):2190-2201. doi: 10.1111/febs.12773. Epub 2014 Apr 1.


The ryanodine receptor store-sensing gate controls Ca2+ waves and Ca2+-triggered arrhythmias.

Chen W, Wang R, Chen B, Zhong X, Kong H, Bai Y, Zhou Q, Xie C, Zhang J, Guo A, Tian X, Jones PP, O'Mara ML, Liu Y, Mi T, Zhang L, Bolstad J, Semeniuk L, Cheng H, Zhang J, Chen J, Tieleman DP, Gillis AM, Duff HJ, Fill M, Song LS, Chen SR.

Nat Med. 2014 Feb;20(2):184-92. doi: 10.1038/nm.3440. Epub 2014 Jan 19.


AdcA and AdcAII employ distinct zinc acquisition mechanisms and contribute additively to zinc homeostasis in Streptococcus pneumoniae.

Plumptre CD, Eijkelkamp BA, Morey JR, Behr F, Couñago RM, Ogunniyi AD, Kobe B, O'Mara ML, Paton JC, McDevitt CA.

Mol Microbiol. 2014 Feb;91(4):834-51. doi: 10.1111/mmi.12504. Epub 2014 Jan 16.


Imperfect coordination chemistry facilitates metal ion release in the Psa permease.

Couñago RM, Ween MP, Begg SL, Bajaj M, Zuegg J, O'Mara ML, Cooper MA, McEwan AG, Paton JC, Kobe B, McDevitt CA.

Nat Chem Biol. 2014 Jan;10(1):35-41. doi: 10.1038/nchembio.1382. Epub 2013 Nov 10.


Vancomycin: ligand recognition, dimerization and super-complex formation.

Jia Z, O'Mara ML, Zuegg J, Cooper MA, Mark AE.

FEBS J. 2013 Mar;280(5):1294-307. doi: 10.1111/febs.12121. Epub 2013 Feb 11.


The Effect of Environment on the Structure of a Membrane Protein: P-Glycoprotein under Physiological Conditions.

O'Mara ML, Mark AE.

J Chem Theory Comput. 2012 Oct 9;8(10):3964-76. doi: 10.1021/ct300254y. Epub 2012 Jun 11.


Intestinal peptidases form functional complexes with the neutral amino acid transporter B(0)AT1.

Fairweather SJ, Bröer A, O'Mara ML, Bröer S.

Biochem J. 2012 Aug 15;446(1):135-48. doi: 10.1042/BJ20120307.


The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II.

Jia Z, O'Mara ML, Zuegg J, Cooper MA, Mark AE.

Biophys J. 2011 Dec 7;101(11):2684-92. doi: 10.1016/j.bpj.2011.10.047. Erratum in: Biophys J. 2013 Jan 22;104(2):516.


Orientation of μ-conotoxin PIIIA in a sodium channel vestibule, based on voltage dependence of its binding.

McArthur JR, Singh G, O'Mara ML, McMaster D, Ostroumov V, Tieleman DP, French RJ.

Mol Pharmacol. 2011 Aug;80(2):219-27. doi: 10.1124/mol.111.071779. Epub 2011 Apr 26.


Effect of poly(ethylene glycol) (PEG) spacers on the conformational properties of small peptides: a molecular dynamics study.

Xue Y, O'Mara ML, Surawski PP, Trau M, Mark AE.

Langmuir. 2011 Jan 4;27(1):296-303. doi: 10.1021/la103800h. Epub 2010 Dec 1.


Transmembrane helix 12 plays a pivotal role in coupling energy provision and drug binding in ABCB1.

Crowley E, O'Mara ML, Kerr ID, Callaghan R.

FEBS J. 2010 Oct;277(19):3974-85. doi: 10.1111/j.1742-4658.2010.07789.x. Epub 2010 Aug 20.


ABC transporters: a riddle wrapped in a mystery inside an enigma.

Jones PM, O'Mara ML, George AM.

Trends Biochem Sci. 2009 Oct;34(10):520-31. doi: 10.1016/j.tibs.2009.06.004. Epub 2009 Sep 11. Review.


Transmembrane helix 12 modulates progression of the ATP catalytic cycle in ABCB1.

Crowley E, O'Mara ML, Reynolds C, Tieleman DP, Storm J, Kerr ID, Callaghan R.

Biochemistry. 2009 Jul 7;48(26):6249-58. doi: 10.1021/bi900373x.


Structural arrangement of the transmission interface in the antigen ABC transport complex TAP.

Oancea G, O'Mara ML, Bennett WF, Tieleman DP, Abele R, Tampé R.

Proc Natl Acad Sci U S A. 2009 Apr 7;106(14):5551-6. doi: 10.1073/pnas.0811260106. Epub 2009 Mar 18.


The mechanism of ABC transporters: general lessons from structural and functional studies of an antigenic peptide transporter.

Procko E, O'Mara ML, Bennett WF, Tieleman DP, Gaudet R.

FASEB J. 2009 May;23(5):1287-302. doi: 10.1096/fj.08-121855. Epub 2009 Jan 27. Review.


Non-linear intramolecular interactions and voltage sensitivity of a KV1 family potassium channel from Polyorchis penicillatus (Eschscholtz 1829).

Klassen TL, O'Mara ML, Redstone M, Spencer AN, Gallin WJ.

J Exp Biol. 2008 Nov;211(Pt 21):3442-53. doi: 10.1242/jeb.022608.


ATP-binding cassette transporters in Escherichia coli.

Moussatova A, Kandt C, O'Mara ML, Tieleman DP.

Biochim Biophys Acta. 2008 Sep;1778(9):1757-71. doi: 10.1016/j.bbamem.2008.06.009. Epub 2008 Jun 18. Review.


Cytosolic region of TM6 in P-glycoprotein: topographical analysis and functional perturbation by site directed labeling.

Storm J, Modok S, O'Mara ML, Tieleman DP, Kerr ID, Callaghan R.

Biochemistry. 2008 Mar 25;47(12):3615-24. doi: 10.1021/bi7023089. Epub 2008 Feb 28.


Structure-based interpretation of the mutagenesis database for the nucleotide binding domains of P-glycoprotein.

Lawson J, O'Mara ML, Kerr ID.

Biochim Biophys Acta. 2008 Feb;1778(2):376-91. Epub 2007 Nov 1. Review.


P-glycoprotein models of the apo and ATP-bound states based on homology with Sav1866 and MalK.

O'Mara ML, Tieleman DP.

FEBS Lett. 2007 Sep 4;581(22):4217-22. Epub 2007 Aug 7.


Residue G346 in transmembrane segment six is involved in inter-domain communication in P-glycoprotein.

Storm J, O'Mara ML, Crowley EH, Peall J, Tieleman DP, Kerr ID, Callaghan R.

Biochemistry. 2007 Sep 4;46(35):9899-910. Epub 2007 Aug 14.


Computer simulations of ABC transporter components.

Oloo EO, Kandt C, O'Mara ML, Tieleman DP.

Biochem Cell Biol. 2006 Dec;84(6):900-11. Review.


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