For reprints of publications or additional information, please contact inesmelo@charlotte.edu
Publications at UNCC
[55] Translational Diffusion and Self-Association of an Intrinsically Disordered Protein κ-Casein Using NMR with Ultra-High Pulsed-Field Gradient and Time-Resolved FRET. Melnikova DL, Ranjan VV, Nesmelov YE, Skirda VD, Nesmelova IV. 2024, J. Phys. Chem. B, 128(32):7781-7791. PMID: 39106061.
[54] Heterodimers Are an Integral Component of Chemokine Signaling Repertoire. Kaffashi K, Dréau D, Nesmelova IV. 2023, Int J Mol Sci. 24(14):11639. PMID: 37511398; PMCID: PMC10380872.
[53] A new obligate CXCL4-CXCL12 heterodimer for studying chemokine heterodimer activities and mechanisms. Nguyen KTP, Volkman B, Dréau D, Nesmelova IV. 2022, Sci Rep. 12(1):17204. PMID: 36229490; PMCID: PMC9561612.
[52] Structure, dynamics, and function of PsDef2 defensin from Pinus sylvestris. 2022, Structure. 30(5):753-762.e5. PMID: 35334207
[51] Seed-derived defensins from Scots pine: structural and functional features. 2021, Planta. 254(6):129. PMID: 34817648
[50] Pro4 prolyl peptide bond isomerization in human galectin-7 modulates the monomer-dimer equilibrum to affect function. 2020, Biochem J. 477(17):3147-3165. PMID: 32766716
[49] Plant Defensins from a Structural Perspective. 2020, Int J Mol Sci. 21(15):E5307. PMID: 32722628
[48] CXCL12-CXCL4 heterodimerization prevents CXCL12-driven breast cancer cell migration. Nguyen KTP, Druhan LJ, Avalos BR, Zhai L, Rauova L, Nesmelova IV, Dréau D. 2020, Cell Signal. 66:109488. PMID: 31785332
[47] Experimental evolution generates novel oncolytic vesicular stomatitis viruses with improved replication in virus-resistant pancreatic cancer cells. Seegers SL, Frasier C, Greene S, Nesmelova IV, Grdzelishvili VZ. 2020, J Virol. 94(3): e01643-19. PMID: 31694943
[46] CaATP prolongs strong actomyosin binding and promotes futile myosin stroke. Ge J, Gargey A, Nesmelova IV, Nesmelov YE. 2019, J Muscle Res Cell Motil. 40(3-4):389-398. PMID: 31556008
[45] Translational diffusion of unfolded and intrinsically disordered proteins. Nesmelova IV, Melnikova DL, Ranjan V, Skirda VD. 2019, Prog Mol Biol Transl Sci. 166:85-108. PMID: 31521238
[44] The Effect of Reducing Agent TCEP on Translational Diffusion and Supramolecular Assembly in Aqueous Solutions of α-Casein.
Melnikova DL, Skirda VD, Nesmelova IV. 2019, J Phys Chem B. 123(10):2305-2315. PMID: 30789730
[43] Rigidity and flexibility characteristics of DD[E/D]-transposases Mos1 and Sleeping Beauty.
Singer CM, Joy D, Jacobs DJ, Nesmelova IV. 2019, Proteins, 87(4): 313-325. PMID: 30582767
[42] NMR Structure, Conformational Dynamics, and Biological Activity of PsDef1 Defensin from Pinus Sylvestris.
Khairutdinov BI, Ermakova EA, Yusypovych YM, Bessolicina EK, Tarasova NB, Toporkova YY, Kovaleva V, Zuev YF, Nesmelova IV. 2017, Biochim. Biophys. Acta., 1865(8): 1085-1094. PMID: 28528214.
[41] The Effect of Intrinsic Disorder and Self-association on the Translational Diffusion of Proteins: the Case of α-Casein.
Melnikova DL, Skirda VD, Nesmelova IV. 2017, J Phys Chem B, 121(14): 2980-2988. PMID:28346777.
[40] NMR solution structure of the RED subdomain of the Sleeping Beauty transposase.
Konnova TA, Singer CM, Nesmelova IV. 2017, Protein Sci., 26(6):1171-1181. PMID:28345263.
[39] Theoretical and Experimental Investigation of the Translational Diffusion of Proteins in the Vicinity of Temperature-Induced Unfolding Transition.
Molchanov S, Faizullin DA, Nesmelova IV. 2016, J Phys Chem B, 120(39):10192-10198. PMID:27628181.
[38] Intermittent hypoxia leads to functional reorganization of mitochondria and affects cellular bioenergetics in marine molluscs.
Ivanina AV, Nesmelova I, Leamy L, Sokolov EP, Sokolova IM. 2016, J Exp Biol, 219(Pt 11):1659-74. PMID:27252455
[37] Structure of Scots pine defensin 1 by spectroscopic methods and computational modeling.
Ermakova EA, Faizullin DA, Idiyatullin BZ, Khairutdinov BI, Mukhamedova LN, Tarasova NB, Toporkova YY, Osipova EV, Kovaleva V, Gogolev YV, Zuev YF, Nesmelova IV. 2016, Int J Biol Macromol, 84:142-52. PMID:26687241.>
[36] Dynamics and thermodynamic properties of CXCL7 chemokine.
Herring CA, Singer CM, Ermakova EA, Khairutdinov BI, Zuev YF, Jacobs DJ, Nesmelova IV. 2015, Proteins, 83(11):1987-2007. PMID:26297927.
[35] The folding of the specific DNA recognition subdomain of the Sleeping Beauty transposase is temperature-dependent and is required for its binding to the transposon DNA.
Leighton GO, Konnova TA, Idiyatullin B, Hurr SH, Zuev YF, Nesmelova IV. 2014, PLoS One, 9(11):e112114. PMID: 25375127.
[34] Carpentier CE, Schreifels JM, Aronovich EL, Carlson DF, Hackett PB, Nesmelova IV. “NMR Structural Analysis of Sleeping Beauty Transposase Binding to DNA”, 2014, Protein Sci., 21(1), pp. 23-33. PMID: 24243759. 
[33] Carlson J, Baxter SA, Dréau D, Nesmelova IV. “The heterodimerization of platelet-derived chemokines”, 2013, Biochim. Biophys. Acta, 1834(1):158-68. PMID: 23009808.
[32] Ermakova E, Miller MC, Nesmelova IV, López-Merino L, Berbís MA, Nesmelov Y, Tkachev YV, Lagartera L, Daragan VA, André S, Cañada FJ, Jiménez-Barbero J, Solís D, Gabius HJ, Mayo KH. “Lactose binding to human galectin-7 (p53-induced gene 1) induces long-range effects through the protein resulting in increased dimer stability and evidence for positive cooperativity”, 2013, Glycobiology, 23(5):508-23. PMID: 23376190.
[31] Dings RP, Miller MC, Nesmelova I, Astorgues-Xerri L, Kumar N, Serova M, Chen X, Raymond E, Hoye TR, Mayo KH. “Antitumor agent calixarene 0118 targets human galectin-1 as an allosteric inhibitor of carbohydrate binding”, 2012, J. Med. Chem., 55(11):5121-9. PMID: 22575017.
[30] Nesmelova IV, Berbís MA, Miller MC, Cañada FJ, André S, Jiménez-Barbero J, Gabius HJ, Mayo KH. “(1)H, (13)C, and (15)N backbone and side-chain chemical shift assignments for the 31 kDa human galectin-7 (p53-induced gene 1) homodimer, a pro-apoptotic lectin”, 2012, Biomol. NMR Assign., 6(2):127-9. PMID: 21898049.
[29] Miller MC, Ribeiro JP, Roldós V, Martín-Santamaría S, Cañada FJ, Nesmelova IV, André S, Pang M, Klyosov A, Baum LG, Jiménez-Barbero J, Gabius HJ, Mayo KH. “Structural Aspects of Binding of {alpha}-Linked Digalactosides to Human Galectin-1”, 2011, Glycobiology, 21(12): 1627-41. 
[28] Lohani S, Nesmelova IV, Suryanarayanan R, Grant DJW. “Spectroscopic Characterization of Molecular Aggregates in Solutions: Impact on Crystallization of Indomethacin Polymorphs from Acetonitrile and Ethanol”, 2011, Cryst. Growth Des., 11(6):2368–2378.
[27] Nesmelova IV, Hackett PB. “DDE transposases: Structural similarity and diversity”, 2010, Adv. Drug Deliv. Rev., 62:1187-1195.
Publications before UNCC
[26] Nesmelova IV, Ermakova EA, Daragan VA, Pang M, Baum LG, Mayo KH. “Lactose Binding to Galectin-1 Occurs with Negative Cooperativity by Modulating Structural Dynamics through the Protein “, 2010, J. Mol. Biol., 397(5):1209-1230.
[25] Miller MC, Nesmelova IV, Platt D, Klyosov A, Mayo KH. “The carbohydrate-binding domain on galectin-1 is more extensive for a complex glycan than for simple saccharides: implication for galectin-glycan interactions at the cell surface”, 2009, Biochem J., 421:211-21.
[24] Koenen RR, von Hundelshausen P, Nesmelova IV, Zernecke A, Liehn EA, Sarabi A, Kramp BK, Piccinini AM, Paludan SR, Kowalska MA, Kungl AJ, Hackeng TM, Mayo KH, Weber C. “Disrupting functional interactions between platelet chemokines inhibits atherosclerosis in Apolipoprotein E-deficient mice”, 2009, Nature Med., 15:97-103.
[23] Nesmelova IV, Pang M, Baum LG, Mayo KH. “ 1H, 13C, and 15N resonance assignments for galectin-1″, 2008, Biomol. NMR Assign. , 2:203-205.
[22] Nesmelova IV, Sham Y, Gao J, Mayo KH. “Energy profile of CXC and CC chemokines quaternary structure from molecular dynamics simulations: chemokine can form heterodimers”, 2008, J. Biol. Chem., 283(35):24155-66.
[21] Nesmelova IV, Dings RPM, Mayo KH. “Understanding Galectin Structure-Function Relationships to Design Effective Antagonists”, 2008, chapter fot the book “Galectins”, edited by A. Klyosov, Z. J. Witczak, and D. Platt, John Wiley & Sons, Inc., ISBN-10: 0-470-37318-0, pp. 33-69 (cover).
[20] Chen X, Dings RP, Nesmelova I, Debbert S, Haseman JR, Maxwell J, Hoye TR, Mayo KH. “Topomimetics of amphipathic beta-sheet and helix-forming bactericidal peptides neutralize lipopolysaccharide endotoxins”, 2006, J Med Chem., 49(26):7754-65.
[19] Thijssen VLJL, Postel R, Brandwijk RJMGE, Dings RPM, Nesmelova I, Satijn S, Verhofstad N, Nakabeppu Y, Baum LG, Bakkers J, Mayo KH, Poirier F, Griffioen AW. “Galectin-1 is essential in tumor angiogenesis and is a target for antiangiogenesis therapy”, 2006, Proc. Nat. Acad. Sci. (USA), 103(43): 15975-15980.
[18] Brandwijk RJ, Nesmelova I, Dings RP, Mayo KH, Thijssen VL, Griffioen AW. “Cloning an artificial gene encoding angiostatic anginex: From designed peptide to functional recombinant protein”, 2005, Biochem Biophys Res Commun., 333(4): 1261-1268.
[17] Orsini MJ, Nesmelova I, Young HC, Hargittai B, Beavers MP, Liu J, Connolly PJ, Middleton SA, Mayo KH. The nociceptin pharmacophore site for opioid receptor binding derived from the NMR structure and bioactivity relationships”, 2005, J Biol Chem., 280(9): 8134-8142.
[16] Nesmelova IV, Sham Y, Dudek AZ, van Eijk LI, Slungaard A, Griffioen AW, Mayo KH. “Functional modulation of CXC-chemokine biology at the quarternary structural level by heterodimer formation”, 2005, J. Biol. Chem., 280(6): 4948-4958.
[15] Nesmelova IV, Idiyatullin D., Mayo KH. “Measuring protein self-diffusion in protein–protein mixtures using a pulsed gradient spin-echo technique with WATERGATE and isotope filtering”, 2004, J. Magn. Res., 166(1): 129-133.
[14] Mayo KH, Dings RP, Flader C, Nesmelova I, Hargittai B, Van Der Schaft DW, Van Eijk LI, Walek D, Haseman J, Hoye TR, Griffioen AW. “Design of a partial Peptide mimetic of anginex with antiangiogenic and anticancer activity”, 2003, J Biol Chem., 278(46): 45746-45752.
[13] Dings RPM, Nesmelova IV, Griffioen AW, Mayo KH. Discovery and development of anti-angiogenic peptides: A structural link. 2003, Angiogenesis, 6(2), 83-91.
[12] Dudek AZ, Nesmelova I, Mayo K, Verfaillie CM, Pitchford S, Slungaard A. “Platelet Factor 4 Promotes Adhesion of Hematopoietic Progenitor Cells and Binds IL-8: Novel Mechanisms for Modulation Of Hematopoiesis”, 2003, Blood, 101(12): 4687-4694.
[11] Idiyatullin D, Nesmelova I, Daragan VA, Mayo KH. “Comparison of (13)C(alpha)H and (15)NH backbone dynamics in protein GB1”, 2003, Protein Sci, 12(5): 914-922.
[10] Idiyatullin D., Nesmelova I.V., Daragan V.A., Mayo K.H. “Heat capacities and a snapshot of the energy landscape in protein GB1 from the pre-denaturation temperature dependence of backbone NH nanosecond fluctuations”, 2003, J.Mol.Biol., 325(1): 149-162.
[9] Nesmelova I.V., Skirda V.D., Fedotov V.D. “Generalized concentration dependence of globular protein self-diffusion coefficients in aqueous solutions”, 2002, Biopolymers, 63(2): 132-140.
[8] Nesmelova I.V., Idiyatullin D.Sh., Kamalov Z.G., Mayo K.H., Fedotov V.D. “Age-related changes of anisotropic properties of water self-diffusion in human lens”, 2001, Appl. Magn. Res., 21(1): 89-95.
[7] Conformational exchange on the microsecond time scale in alpha-helix and beta-hairpin peptides measured by 13C NMR transverse relaxation.
Nesmelova I, Krushelnitsky A, Idiyatullin D, Blanco F, Ramirez-Alvarado M, Daragan VA, Serrano L, Mayo KH. Biochemistry. 2001 Mar 6;40(9):2844-53.
[6] Internal motional amplitudes and correlated bond rotations in an alpha-helical peptide derived from 13C and 15N NMR relaxation.
Idiyatullin D, Krushelnitsky A, Nesmelova I, Blanco F, Daragan VA, Serrano L, Mayo KH. Protein Sci. 2000 Nov;9(11):2118-27. PMID:11152123.
[5] Peptide internal motions on nanosecond time scale derived from direct fitting of (13)C and (15)N NMR spectral density functions.
Mayo KH, Daragan VA, Idiyatullin D, Nesmelova I. J Magn Reson. 2000 Sep;146(1):188-95. PMID:10968972.
[4] Maklakov A.I., Nesmelova I.V., Serebrennikova T.A. “Probability for diffusing molecule to return to start point in porous media”, 1999, Colloid Journal (Russian), 61(1): 77-81.
[3] Nesmelova I.V., Fedotov V.D. “Determination of association constant of lysozyme using self-diffusion measurements data”, 1998, Molekulyarnaya Biologiya (Russian), 32(4): 664-667.
[2] Nesmelova I.V., Fedotov V.D. “Self-diffusion and self-association of lysozyme molecules in solution”, 1998, BBA, 1383(2): 311-316.
[1] Nesmelova I.V., Fedotov V.D. “Self-diffusion of myoglobin and water molecules in solution”, 1997, Polymer Science, Ser. A, 39(3): 521-526.