Prestegard Lab

Journal Links

Journal of Biomolecular NMR

Journal of Molecular Biology

Protein Science




James H. Prestegard: Member of
the Journal of Magnetic Resonance Editorial Board



Selected Recent Publications


Prestegard, JH, Boons, GJ, Chopra, P, Glushka, J, Grimes Jr., J, Simon, B. Neural net analysi of NMR spectra from strongly-coupled spin systems. Journal of Magnetic Resonance. 2024;368:107792.
[Free access until December 17, 2024]     doi:10.1016/j.jmr.2024.107792

Chalmers G, Glushka JN, Foley BL, Woods RJ and Prestegard JH. Direct NOE simulation from long MD trajectories. Journal of Magnetic Resonance. 2016;265:1-9.
[PMC4818662]     doi:10.1016/j.jmr.2016.01.006

Deshauer C, Morgan AM, Ryan EO, Handel TM, Prestegard JH, Wang X. Interactions of the Chemokine CCL5/RANTES with Medium-Sized Chondroitin Sulfate Ligands. Structure. 2015;23:1066-77.
[PMC4456249]     doi:10.1016/j.str.2015.03.024

Everett JK, Tejero R, Murthy SBK, Acton TB, Aramini JM, Barani MC, Benach J, Cort JR, Eletsky A, Forouhar F, Guan R, Kuzin AP, Lee HW, Liu G, Mani R, Mao B, Mills JL, Montelione AF, Pederson K, Powers R, Ramelot T, Rossi P, Seetharaman J, Snyder D, Swapna GV, Vorobiev SM, Wu Y, Xiao R, Yang Y, Arrowsmith CH, Hunt JF, Kennedy MA, Prestegard JH, Szyperski T, Tong L, and Montelione GT. A community resource of experimental data for NMR/X-ray crystal structure pairs. Protein Science. 2016;25:30-45.
[PMC4815321]     doi:10.1002/pro.2774

Frank M, Walker RC, Lanzilotta WN, Prestegard JH, Barb AW. Immunoglobulin G1 Fc Domain Motions: Implications for Fc Engineering. Journal of Molecular Biology. 2014;426:1799-811.
[PMC4041121]     doi:10.1016/j.jmb.2014.01.011

Franks J, Glushka JN, Jones MT, Live DH, Zou Q, Prestegard JH. Spin Diffusion Editing for Structural Fingerprints of Therapeutic Antibodies. Analytical Chemistry. 2016;88:1320-7.
[PMC5088498]     doi:10.1021/acs.analchem.5b03777

Gao Q, Chen CY, Zong C, Wang S, Ramiah A, Prabhakar P, Morris LC, Boons GJ, Moremen KW and Prestegard JH. Structural Aspects of Heparan Sulfate Binding to Robo1-Ig1-2. ACS Chemical Biology. 2016;11:3106-13.
[PMC5148660]     doi:10.1021/acschembio.6b00692

Lemak A, Wu B, Yee A, Houliston S, Lee HW, Gutmanas A, et al. Structural Characterization of a Flexible Two-Domain Protein in Solution Using Small Angle X-Ray Scattering and NMR Data. Structure. 2014;22:1862-74.
[PMC5046226]     doi:10.1016/j.str.2014.09.013

Liu YZ, Kahn RA, Prestegard JH. Interaction of Fapp1 with Arf1 and PI4P at a Membrane Surface: An Example of Coincidence Detection. Structure. 2014;22:421-30.
[PMC3951685]     doi:10.1016/j.str.2013.12.011

Park Y, Jowitt TA, Day AJ, Prestegard JH. Nuclear Magnetic Resonance Insight into the Multiple Glycosaminoglycan Binding Modes of the Link Module from Human TSG-6. Biochemistry. 2016;55:262-76.
[PMC5073374]     doi:10.1021/acs.biochem.5b01148

Pederson K, Mitchell DA, Prestegard JH. Structural Characterization of the DC-SIGN-Lewis(X) Complex. Biochemistry. 2014;53:5700-9.
[PMC4159204]     doi:10.1021/bi5005014

Prestegard JH, Agard DA, Moremen KW, Lavery LA, Morris LC, Pederson K. Sparse labeling of proteins: Structural characterization from long range constraints. Journal of Magnetic Resonance. 2014;241:32-40.
[PMC3964372]     doi:10.1016/j.jmr.2013.12.012

Queiroz INL, Wang XC, Glushka JN, Santos GRC, Valente AP, Prestegard JH, Woods RJ, MourĂ£o PA and Pomin VH. Impact of sulfation pattern on the conformation and dynamics of sulfated fucan oligosaccharides as revealed by NMR and MD. Glycobiology. 2015;25:535-47.
[PMC4373396]     doi:10.1093/glycob/cwu184

Rosato A, Vranken W, Fogh RH, Ragan TJ, Tejero R, Pederson K, Lee HW, Prestegard JH, Yee A, Wu B, Lemak A, Houliston S, Arrowsmith CH, Kennedy M, Acton TB, Xiao R, Liu G, Montelione GT and Vuister GW. The second round of Critical Assessment of Automated Structure Determination of Proteins by NMR: CASD-NMR-2013. Journal of Biomolecular NMR. 2015;62:413-24.
[PMC4569658]     doi:10.1007/s10858-015-9953-4

Singh A, Tessier MB, Pederson K, Wang XC, Venot AP, Boons GJ, Prestegard JH and Woods RJ. Extension and validation of the GLYCAM force field parameters for modeling glycosaminoglycans. Canadian Journal of Chemistry. 2016;94:927-35.
[no PMCID]     doi:10.1139/cjc-2015-0606

Varki A, Cummings RD, Aebi M, Packer NH, Seeberger PH, Esko JD, Stanley P, Hart G, Darvill A, Kinoshita T, Prestegard JH, Schnaar RL, Freeze HH, Marth JD, Bertozzi CR, Etzler ME, Frank M, Vliegenthart JFG, Lutteke T, Perez S, Bolton E, Rudd P, Paulson J, Kanehisa M, Toukach P, Aoki-Kinoshita KF, Dell A, Narimatsu H, York W, Taniguchi N and Kornfeld S. Symbol Nomenclature for Graphical Representations of Glycans. Glycobiology. 2015;25:1323-4.
[PMC4643639]     doi:10.1093/glycob/cwv091

Yang YH, Ramelot TA, Lee HW, Xiao R, Everett JK, Montelione GT, Prestegard JH and Kennedy MA. Solution structure of the free Z alpha domain of human DLM-1 (ZBP1/DAI), a Z-DNA binding domain. Journal of Biomolecular NMR. 2014;60:189-95.
[PMC4527548]     doi:10.1007/s10858-014-9858-7

Yang YH, Ramelot TA, Lee HW, Xiao R, Everett JK, Montelione GT, Prestegard JH and Kennedy MA. Solution structure of a C-terminal fragment (175-257) of CV_0373 protein from Chromobacterium violaceum adopts a winged helix-turn-helix (wHTH) fold. Journal of Biomolecular NMR. 2014;60:197-202.
[PMC4928572]     doi:10.1007/s10858-014-9860-0

Zhang C, Zhuo Y, Moniz HA, Wang S, Moremen KW, Prestegard JH, et al. Direct Determination of Multiple Ligand Interactions with the Extracellular Domain of the Calcium-sensing Receptor. Journal of Biological Chemistry. 2014;289:33529-42.
[PMC4246106]     doi:10.1074/jbc.M114.604652

Zhuo Y, Yang JY, Moremen KW, Prestegard JH. Glycosylation Alters Dimerization Properties of a Cell-surface Signaling Protein, Carcinoembryonic Antigen-related Cell Adhesion Molecule 1 (CEACAM1). Journal of Biological Chemistry. 2016;291:20085-95.
[PMC5025693]     doi: 10.1074/jbc.M116.740050