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Items: 35


An order-to-disorder structural switch activates the FoxM1 transcription factor.

Marceau AH, Brison CM, Nerli S, Arsenault HE, McShan AC, Chen E, Lee HW, Benanti JA, Sgourakis NG, Rubin SM.

Elife. 2019 May 28;8. pii: e46131. doi: 10.7554/eLife.46131.


NMR structure determination of Ixolaris and factor X(a) interaction reveals a noncanonical mechanism of Kunitz inhibition.

De Paula VS, Sgourakis NG, Francischetti IMB, Almeida FCL, Monteiro RQ, Valente AP.

Blood. 2019 Aug 22;134(8):699-708. doi: 10.1182/blood.2018889493. Epub 2019 May 27.



Nerli S, Sgourakis NG.

Methods Enzymol. 2019;614:321-362. doi: 10.1016/bs.mie.2018.07.005. Epub 2018 Sep 11.


Programmable design of orthogonal protein heterodimers.

Chen Z, Boyken SE, Jia M, Busch F, Flores-Solis D, Bick MJ, Lu P, VanAernum ZL, Sahasrabuddhe A, Langan RA, Bermeo S, Brunette TJ, Mulligan VK, Carter LP, DiMaio F, Sgourakis NG, Wysocki VH, Baker D.

Nature. 2019 Jan;565(7737):106-111. doi: 10.1038/s41586-018-0802-y. Epub 2018 Dec 19.


De novo design of a non-local β-sheet protein with high stability and accuracy.

Marcos E, Chidyausiku TM, McShan AC, Evangelidis T, Nerli S, Carter L, Nivón LG, Davis A, Oberdorfer G, Tripsianes K, Sgourakis NG, Baker D.

Nat Struct Mol Biol. 2018 Nov;25(11):1028-1034. doi: 10.1038/s41594-018-0141-6. Epub 2018 Oct 29.


The Role of Molecular Flexibility in Antigen Presentation and T Cell Receptor-Mediated Signaling.

Natarajan K, Jiang J, May NA, Mage MG, Boyd LF, McShan AC, Sgourakis NG, Bax A, Margulies DH.

Front Immunol. 2018 Jul 17;9:1657. doi: 10.3389/fimmu.2018.01657. eCollection 2018. Review.


Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle.

McShan AC, Natarajan K, Kumirov VK, Flores-Solis D, Jiang J, Badstübner M, Toor JS, Bagshaw CR, Kovrigin EL, Margulies DH, Sgourakis NG.

Nat Chem Biol. 2018 Aug;14(8):811-820. doi: 10.1038/s41589-018-0096-2. Epub 2018 Jul 9.


A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.

Toor JS, Rao AA, McShan AC, Yarmarkovich M, Nerli S, Yamaguchi K, Madejska AA, Nguyen S, Tripathi S, Maris JM, Salama SR, Haussler D, Sgourakis NG.

Front Immunol. 2018 Jan 30;9:99. doi: 10.3389/fimmu.2018.00099. eCollection 2018.


Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra.

Evangelidis T, Nerli S, Nováček J, Brereton AE, Karplus PA, Dotas RR, Venditti V, Sgourakis NG, Tripsianes K.

Nat Commun. 2018 Jan 26;9(1):384. doi: 10.1038/s41467-017-02592-z.


Chemical shift-based methods in NMR structure determination.

Nerli S, McShan AC, Sgourakis NG.

Prog Nucl Magn Reson Spectrosc. 2018 Jun - Aug;106-107:1-25. doi: 10.1016/j.pnmrs.2018.03.002. Epub 2018 Mar 11. Review.


Filamentous Bacteriophage Viruses: Preparation, Magic-Angle Spinning Solid-State NMR Experiments, and Structure Determination.

Morag O, Sgourakis NG, Abramov G, Goldbourt A.

Methods Mol Biol. 2018;1688:67-97. doi: 10.1007/978-1-4939-7386-6_4.


An allosteric site in the T-cell receptor Cβ domain plays a critical signalling role.

Natarajan K, McShan AC, Jiang J, Kumirov VK, Wang R, Zhao H, Schuck P, Tilahun ME, Boyd LF, Ying J, Bax A, Margulies DH, Sgourakis NG.

Nat Commun. 2017 May 16;8:15260. doi: 10.1038/ncomms15260.


A Novel MHC-I Surface Targeted for Binding by the MCMV m06 Immunoevasin Revealed by Solution NMR.

Sgourakis NG, May NA, Boyd LF, Ying J, Bax A, Margulies DH.

J Biol Chem. 2015 Nov 27;290(48):28857-68. doi: 10.1074/jbc.M115.689661. Epub 2015 Oct 13.


Type IV pilus: one architectural problem, many structural solutions.

Bergeron JR, Sgourakis NG.

Structure. 2015 Feb 3;23(2):253-5. doi: 10.1016/j.str.2015.01.004.


The NMR-Rosetta capsid model of M13 bacteriophage reveals a quadrupled hydrophobic packing epitope.

Morag O, Sgourakis NG, Baker D, Goldbourt A.

Proc Natl Acad Sci U S A. 2015 Jan 27;112(4):971-6. doi: 10.1073/pnas.1415393112. Epub 2015 Jan 13.


Modeling an in-register, parallel "iowa" aβ fibril structure using solid-state NMR data from labeled samples with rosetta.

Sgourakis NG, Yau WM, Qiang W.

Structure. 2015 Jan 6;23(1):216-227. doi: 10.1016/j.str.2014.10.022. Epub 2014 Dec 24.


The modular structure of the inner-membrane ring component PrgK facilitates assembly of the type III secretion system basal body.

Bergeron JRC, Worrall LJ, De S, Sgourakis NG, Cheung AH, Lameignere E, Okon M, Wasney GA, Baker D, McIntosh LP, Strynadka NCJ.

Structure. 2015 Jan 6;23(1):161-172. doi: 10.1016/j.str.2014.10.021. Epub 2014 Dec 18.


A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta.

Rossi P, Shi L, Liu G, Barbieri CM, Lee HW, Grant TD, Luft JR, Xiao R, Acton TB, Snell EH, Montelione GT, Baker D, Lange OF, Sgourakis NG.

Proteins. 2015 Feb;83(2):309-17. doi: 10.1002/prot.24719. Epub 2014 Dec 19.


High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy.

Demers JP, Habenstein B, Loquet A, Kumar Vasa S, Giller K, Becker S, Baker D, Lange A, Sgourakis NG.

Nat Commun. 2014 Sep 29;5:4976. doi: 10.1038/ncomms5976.


The structure of mouse cytomegalovirus m04 protein obtained from sparse NMR data reveals a conserved fold of the m02-m06 viral immune modulator family.

Sgourakis NG, Natarajan K, Ying J, Vogeli B, Boyd LF, Margulies DH, Bax A.

Structure. 2014 Sep 2;22(9):1263-1273. doi: 10.1016/j.str.2014.05.018. Epub 2014 Aug 7.


A refined model of the prototypical Salmonella SPI-1 T3SS basal body reveals the molecular basis for its assembly.

Bergeron JR, Worrall LJ, Sgourakis NG, DiMaio F, Pfuetzner RA, Felise HB, Vuckovic M, Yu AC, Miller SI, Baker D, Strynadka NC.

PLoS Pathog. 2013;9(4):e1003307. doi: 10.1371/journal.ppat.1003307. Epub 2013 Apr 25.


The common structural architecture of Shigella flexneri and Salmonella typhimurium type three secretion needles.

Demers JP, Sgourakis NG, Gupta R, Loquet A, Giller K, Riedel D, Laube B, Kolbe M, Baker D, Becker S, Lange A.

PLoS Pathog. 2013 Mar;9(3):e1003245. doi: 10.1371/journal.ppat.1003245. Epub 2013 Mar 21.


Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples.

Lange OF, Rossi P, Sgourakis NG, Song Y, Lee HW, Aramini JM, Ertekin A, Xiao R, Acton TB, Montelione GT, Baker D.

Proc Natl Acad Sci U S A. 2012 Jul 3;109(27):10873-8. doi: 10.1073/pnas.1203013109. Epub 2012 Jun 25.


Atomic model of the type III secretion system needle.

Loquet A, Sgourakis NG, Gupta R, Giller K, Riedel D, Goosmann C, Griesinger C, Kolbe M, Baker D, Becker S, Lange A.

Nature. 2012 May 20;486(7402):276-9. doi: 10.1038/nature11079. Erratum in: Nature. 2012 Aug 30;488(7413):684.


Accurate protein structure modeling using sparse NMR data and homologous structure information.

Thompson JM, Sgourakis NG, Liu G, Rossi P, Tang Y, Mills JL, Szyperski T, Montelione GT, Baker D.

Proc Natl Acad Sci U S A. 2012 Jun 19;109(25):9875-80. doi: 10.1073/pnas.1202485109. Epub 2012 Jun 4.


Determination of the structures of symmetric protein oligomers from NMR chemical shifts and residual dipolar couplings.

Sgourakis NG, Lange OF, DiMaio F, André I, Fitzkee NC, Rossi P, Montelione GT, Bax A, Baker D.

J Am Chem Soc. 2011 Apr 27;133(16):6288-98. doi: 10.1021/ja111318m. Epub 2011 Apr 5.


Atomic-level characterization of the ensemble of the Aβ(1-42) monomer in water using unbiased molecular dynamics simulations and spectral algorithms.

Sgourakis NG, Merced-Serrano M, Boutsidis C, Drineas P, Du Z, Wang C, Garcia AE.

J Mol Biol. 2011 Jan 14;405(2):570-83. doi: 10.1016/j.jmb.2010.10.015. Epub 2010 Nov 5.


Experimental test of the thermodynamic model of protein cooperativity using temperature-induced unfolding of a Ubq-UIM fusion protein.

Patel MM, Sgourakis NG, Garcia AE, Makhatadze GI.

Biochemistry. 2010 Oct 5;49(39):8455-67. doi: 10.1021/bi101163u. Epub 2010 Sep 13.


Discriminating early stage A{beta}42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study.

Zhuang W, Sgourakis NG, Li Z, Garcia AE, Mukamel S.

Proc Natl Acad Sci U S A. 2010 Sep 7;107(36):15687-92. doi: 10.1073/pnas.1002131107. Epub 2010 Aug 23.


Conformational dynamics and structural plasticity play critical roles in the ubiquitin recognition of a UIM domain.

Sgourakis NG, Patel MM, Garcia AE, Makhatadze GI, McCallum SA.

J Mol Biol. 2010 Mar 5;396(4):1128-44. doi: 10.1016/j.jmb.2009.12.052. Epub 2010 Jan 4.


Pressure effects on the ensemble dynamics of ubiquitin inspected with molecular dynamics simulations and isotropic reorientational eigenmode dynamics.

Sgourakis NG, Day R, McCallum SA, Garcia AE.

Biophys J. 2008 Oct;95(8):3943-55. doi: 10.1529/biophysj.108.133702. Epub 2008 Jul 11.


The Alzheimer's peptides Abeta40 and 42 adopt distinct conformations in water: a combined MD / NMR study.

Sgourakis NG, Yan Y, McCallum SA, Wang C, Garcia AE.

J Mol Biol. 2007 May 18;368(5):1448-57. Epub 2007 Mar 7.


Prediction of the coupling specificity of GPCRs to four families of G-proteins using hidden Markov models and artificial neural networks.

Sgourakis NG, Bagos PG, Hamodrakas SJ.

Bioinformatics. 2005 Nov 15;21(22):4101-6. Epub 2005 Sep 20.


A method for the prediction of GPCRs coupling specificity to G-proteins using refined profile Hidden Markov Models.

Sgourakis NG, Bagos PG, Papasaikas PK, Hamodrakas SJ.

BMC Bioinformatics. 2005 Apr 22;6:104.

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