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252. Tian, F., M. DeMarco, R. Woods, and J.H. Prestegard. 2009 Presentation of membrane-anchored glycosphingolipids determined from molecular dynamics simulations and NMR paramagnetic relaxation rate enhancement. J. Am. Chem. Soc. (in press).
251. Liu, S., L. Meng, K.W. Moremen, and J.H. Prestegard. 2009 Nuclear magnetic resonance structural characterization of substrates bound to the α-2, 6-sialyltransferase, ST6Gal-1. Biochemistry 48(47):11211-11219. doi: 10.1021/bi9015154. PMCID: PMC2790006.
250. Barb, A.W., E.K. Brady, and J.H. Prestegard. 2009 Branch-specific sialylation of IgG-Fc glycans by ST6Gal-1. Biochemistry 48(41): 9705-9707. doi: 10.1021/bi901430h. PMCID: PMC2761508.
249. Liu, Y. and J.H. Prestegard. 2009 Measurement of one and two bond N-C couplings in large proteins by TROSY-based J-modulation experiments. J. Magn. Reson. 200(1):109-118. doi: 10.1016/j.jmr.2009.06.010. PMCID: PMC2763284.
248. Nkari, W.K, and J.H. Prestegard. 2009 NMR resonance assignments of sparsely labeled proteins: amide proton exchange correlations in native and denatured states. J. Am. Chem. Soc. 131(14): 5344-5349. doi: 10.1021/ja8100775. PMCID: PMC2699400.
247. Liu, Y., R.A. Kahn, and J.H. Prestegard. 2009 Structure and membrane interaction of myristoylated ARF1. Structure 17(1): 79-87. doi: 10.1016/j.str.2008.10.020. PMCID: PMC2659477.
246. Montelione, G.T., C. Arrowsmith, M.E. Girvin, M.A. Kennedy, J.L. Markley, R. Powers, J.H. Prestegard, and T. Szyperski. 2009 Unique opportunities for NMR methods in structural genomics. J. Struct. Funct. Genomics 10(2):101-106. doi: 10.1007/s10969-009-9064-0. PMCID: PMC2705713.
245. Kley, S., M. Hoenig, J. Glushka, E.S. Jin, S.C. Burgess, M. Waldron, E.T. Jordan, J.H. Prestegard, D.C. Ferguson, S. Wu, and D.E. Olson. 2009 The impact of obesity, sex, and diet on hepatic glucose production in cats. Am. J. Physiol. Regul. Integr. Comp. Physiol. 296(4):R936-43. doi: 10.1152/ajpregu.90771.2008. PMCID: PMC2698604.
244. Parish, D., J. Benach, G. Liu, K. K. Singarapu, R. Xiao, T. Acton, M. Su, S. Bansal, J.H. Prestegard, J. Hunt, G. Montelione, and T. Szyperski. 2008 Protein chaperones Q8ZP25_SALTY from Salmonella typhimurium and HYAE_ECOLI from Escherichia coli exhibit thioredoxin-like structures despite lack of canonical thioredoxin active site sequence motif. J. Struct. Funct. Genomics 9(1-4):41-49. doi: 10.1007/s10969-008-9050-y.
243. Zheng, S., G. Kaur, H. Wang, M. Li, M. Macnaughtan, X. Yang, S. Reid, J.H. Prestegard, B. Wang, and H. Ke. 2008 Design, synthesis, and structure-activity relationship, molecular modeling and NMR studies of a series of phenyl alkyl ketones as highly potent and selective phosphodiesterase-4 inhibitors. J. Med. Chem. 51(24):7673-7688. doi: 10.1021/jm701635j.
242. Macnaughton, M.A., F. Tian, S. Liu, L. Meng, S. Park, P. Azadi, K.W. Moremen, and J.H. Prestegard. 2008 13C-sialic acid labeling of glycans on glycoproteins using ST6Gal-1. J. Am. Chem. Soc. 130(36):11864-11865. doi: 10.1021/ja804614w. PMCID: PMC2640832.
241. Beel, A.J.; C.K. Mobley, H.J. Kim, F. Tian, A. Hadziselimovic, B. Jap, J.H. Prestegard, and C.R. Sanders. 2008 Structural studies of the transmembrane C-terminal domain of the amyloid precursor protein (APP): does APP function as a cholesterol sensor? Biochemistry 47(36): 9428-9446. doi: 10.1021/bi800993c. PMCID: PMC2572687.
240. Liu, Y., and J. H. Prestegard. 2008 Direct measurement of dipole-dipole/CSA cross-correlated relaxation by a constant-time experiment. J. Magn. Reson. 193(1):23-31. doi: 10.1016/j.jmr.2008.03.013. PMCID: PMC2542487.
239. Zhuang, T., H-S Lee, B. Imperiali, and J. H. Prestegard. 2008 Structure determination of a Galectin-3-carbohydrate complex using paramagnetism-based NMR constraints. Protein Sci. 17(7):1220-1231. doi: 10.1110/ps.034561.108. PMCID: PMC2442008.
238. Wang, X., T. Weldeghorghis, G. Zhang, B. Imperiali, and J. H. Prestegard. 2008 Solution structure of Alg13: the sugar donor subunit of a yeast N-acetylglucosamine transferase. Structure 16(6):965-975. doi: 10.1016/j.str.2008.03.010. PMCID: PMC2486831.
237. Wang, X., S. Bansal, M. Jiang and J.H. Prestegard. 2008 RDC-assisted modeling of symmetric protein homo-oligomers. Protein Sci. 17(5): 899-907. doi: 10.1110/ps.073395108. PMCID: PMC2327283.
236. Bansal, S., X. Miao, M.W.W. Adams, J.H. Prestegard and H. Valafar. 2008 Rapid classification of protein structure models using unassigned backbone RDCs and probability density profile analysis (PDPA). J. Magn. Reson. 192(1):60-68. doi: 10.1016/j.jmr.2008.01.014. PMCID: PMC2699457.
235. Bryson, M., F. Tian, J.H. Prestegard and H.Valafar. 2008 REDCRAFT: A tool for simultaneous characterization of protein backbone structure and motion from RDC data. J. Magn. Reson. 191(2):322-334. doi: 10.1016/j.jmr.2008.01.007. PMCID: PMC2728087.
234. Yu, F., J. J. Wolff, I. J. Amster, and J. H. Prestegard. 2007 Conformational preferences of chondroitin sulfate oligomers using partially oriented NMR spectroscopy of 13C-labeled acetyl groups. J. Am. Chem. Soc. 129(43):13288-13297. doi: 10.1021/ja075272h.
233. Wang, X., S. Srisailam, A. A. Yee, A. Lemak, C. Arrowsmith, J. H. Prestegard, and F. Tian. 2007 Domain-domain motions in proteins from time-modulated pseudocontact shifts. J. Biomol. NMR 39(1):53-61. doi: 10.1007/s10858-007-9174-6.
232. Sahu, S. C., V. Simplaceanu, Q. Gong, N. T. Ho, F. Tian, J. H. Prestegard, and Chien Ho. 2007 Insights into the solution structure of human deoxyhemoglobin in the absence and presence of an allosteric effector. Biochemistry 46(35):9973-9980. doi: 10.1021/bi700935z. PMCID: PMC2532491.
231. Feng, L., H.-S. Lee, and J.H. Prestegard. 2007 NMR resonance assignments for sparsely 15N labeled proteins. J. Biomol. NMR 38(3):213-219. doi: 10.1007/s10858-007-9159-5.
230. Seidel III, R.D., T. Zhuang, and J.H. Prestegard. 2007 Bound-state residual dipolar couplings for rapidly exchanging ligands of His-tagged proteins. J. Am. Chem. Soc. 129(15):4834-4839. doi: 10.1021/ja069145h. PMCID: PMC2542485.
229. Liu, S., A. Venot, L. Meng, F. Tian, K.W. Moremen, G.-J. Boons, and J.H. Prestegard. 2007 Spin-labeled analogs of CMP-NeuAc as NMR probes of the α-2,6-sialyltransferase ST6Gal I. Chem. Biol. 14(4):409-418. doi: 10.1016/j.chembiol.2007.02.010.
228. Macnaughtan, M.A., M. Kamar, G. Alvarez-Manilla, A. Venot, J. Glushka, J.M. Pierce, and J.H. Prestegard. 2007 NMR Structural characterization of substrates bound to N-acetylglucosaminyltransferase V. J. Mol. Biol. 366(4): 1266-1281. doi: 10.1016/j.jmb.2006.12.015. PMCID: PMC1808497.
227. Wang, X., H-S Lee, F.J. Sugar, F.E. Jenney, Jr., M.W.W. Adams, and J. H. Prestegard. 2007 PF0610, a novel winged helix-turn-helix variant possessing a rubredoxin-like Zn ribbon motif from the hyperthermophilic archaeon, Pyrococcus furiousus. Biochemistry 46(3):752-761. doi: 10.1021/bi061870h.
226. Feng, L., R. Orlando, and J.H. Prestegard. 2006 Amide proton back-exchange in deuterated peptides: applications to MS and NMR analyses. Anal. Chem. 78(19):6885-6892. doi: 10.1021/ac060948x.
225. Sahu, S.C., V. Simplaceanu, Q. Gong, N.T. Ho, J.N. Glushka, J.H. Prestegard, and C. Ho. 2006 Orientation of deoxyhemoglobin at high magnetic fields: structural insights from RDCs in solution. J. Am. Chem. Soc. 128(19):6290-6291. doi: 10.1021/ja060023z.
224. Yu, F. and J.H. Prestegard. 2006 Structural monitoring of oligosaccharides through 13C enrichment and NMR observation of acetyl groups. Biophys. J. 91(5):1952-1959. doi: 10.1529/biophysj.105.079913. PMCID: PMC1544292.
223. Zhuang, T., H. Leffler, and J.H. Prestegard. 2006 Enhancement of bound-state residual dipolar couplings: conformational analysis of lactose bound to Galectin-3. Protein Sci. 15(7):1780-1790. doi: 10.1110/ps.051994306. PMCID: PMC2242564.
222. Mayer, K.L., Y. Qu, S. Bansal, P.D. LeBlond, F.E. Jenney, Jr., P.S. Brereton, M.W.W. Adams, Y. Xu, and J.H. Prestegard. 2006 Structure determination of a new protein from backbone-centered NMR data and NMR-assisted structure prediction. Proteins 65(2):480-489. doi: 10.1002/prot.21119.
221. Prestegard, J. H., and Xiaobing Yi. 2006 Structure and dynamics of carbohydrates using residual dipolar couplings in: NMR Spectroscopy and Computer Modeling of Carbohydrates (Vliegenthrt and Woods, Eds.), ACS Symposium Series 930:40-59.
220. Kishore, A.I., M.R. Mayer, and J.H. Prestegard. 2005 Partial 13C isotopic enrichment of nucleoside monophosphates: useful reporters for NMR structural studies. Nucleic Acids Res. 33(18): e164. doi: 10.1093/nar/gni165. PMCID: PMC1270954.
219. Macnaughtan, M.A., A.M. Kane, J.H. Prestegard. 2005 Mass spectrometry assisted assignment of NMR resonances in reductively 13C-methylated proteins. J. Am. Chem. Soc. 127(50):17626-17627. doi: 10.1021/ja056977r. PMCID: PMC1847388.
218. Valafar, H., K.L. Mayer, C.M. Bougault, P.D. LeBlond, F.E. Jenner, Jr., P.S. Brereton, M.W.W. Adams, and J.H. Prestegard. 2005 Backbone solution structures of proteins using residual dipolar couplings: application to a novel structural genomics target. J. Struct. Funct. Genomics 5(4): 241-254. doi: 10.1007/s10969-004-4899-x. PMCID: PMC1815388.
217. Wang, J., H. Valafar and J.H. Prestegard. 2005 Assessment of protein alignment using 1H-1H residual dipolar coupling measurements. J. Magn. Reson. 172(1):85-90. doi: 10.1016/j.jmr.2004.03.012.
216. Prestegard, J.H., K. Mayer, H. Valafar, and G. Benison. 2005 Determination of protein backbone structures from residual dipolar couplings. In: NMR of Biological Macromolecules, Part C: Methods in Enzymology, Vol. 394, pp. 175+. Elsevier Academic Press. doi: 10.1016/S0076-6879(05)94007-X PMCID: PMC1808351.
215. Feng, L., R. Orlando, and J.H. Prestegard. 2004 Mass spectrometry assisted assignment of NMR resonances in 15N labeled proteins. J. Am. Chem. Soc. 126(44):14377-14379. doi: 10.1021/ja0457664.
214. Yi, X., A. Venot, J. Glushka, and J.H. Prestegard. 2004 Glycosidic torsional motions in a bicelle-associated disaccharide from residual dipolar couplings. J. Am. Chem. Soc. 126(42):13636-13638. doi: 10.1021/ja045697t.
213. Seidel III, R. D., J.C. Amor, R.A. Kahn, and J.H. Prestegard. 2004 Structural perturbations in human ADP ribosylation factor-1 accompanying the binding of phosphatidylinositides. Biochemistry 43(49):15393-15403. doi: 10.1021/bi0490385.
212. Jain, N.U., T.J.O. Wyckoff, C.R.H. Raetz, and J.H. Prestegard. 2004 Rapid analysis of large protein-protein complexes using NMR-derived orientational constraints: the 95 Kda complex of LpxA with acyl carrier protein. J. Mol. Biol. 343(5):1379-1389. doi: 10.1016/j.jmb.2004.08.103
211. Seidel III, R.D., J.C. Amor, R.A. Kahn, and J.H. Prestegard. 2004 Conformational changes in human Arf1 on nucleotide exchange and deletion of membrane-binding elements. J. Biol. Chem. 279(46):48307-48318. doi: 10.1074/jbc.M402109200.
210. Prestegard, J.H., C.M. Bougault, and A.I. Kishore. 2004 Residual dipolar couplings in structure determination of biomolecules. Chem. Rev. 104(8):3519-3540. doi: 10.1021/cr030419i.
209. Erbel, P.J.A., R. Seidel, S.E. Macintosh, L.N. Gentile, J.C. Amor, R. Kahn, J.H. Prestegard, L.P. McIntosh, and K.A. Gardner. 2004 Cyclic enterobacterial common antigen: potential contaminant of bacterially-expressed protein preparations. J. Biomol. NMR 29(2):199-204. doi: 10.1023/B:JNMR.0000019252.65073.24.
208. Valafar, H., and J.H. Prestegard. 2004 REDCAT: a residual dipolar coupling analysis tool. J. Magn. Reson. 167(2):228-241. doi: 10.1016/j.jmr.2003.12.012.
207. Morris, L.C., H. Valafar, and J.H. Prestegard. 2004 Assignment of protein backbone resonances using connectivity, torsion angles and 13Cα chemical shifts. J. Biomol. NMR 29(1):1-9. doi: 10.1023/B:JNMR.0000019500.76436.31.
206. Bougault, C., L. Feng, J. Glushka, E. Kupce, and J.H. Prestegard. 2004 Quantitation of rapid proton-deuteron amide exchange using Hadamard spectroscopy. J. Biomol. NMR 28(4):385-390. doi: 10.1023/B:JNMR.0000015406.66725.30.
205. Kishore, A. I., and J. H. Prestegard. 2003 Molecular orientation and conformation of phosphatidylinositides in membrane mimetics using variable angle sample spinning (VASS) NMR. Biophys. J. 85(6):3848-3857. doi: 10.1016/S0006-3495(03)74799-7. PMCID: PMC1303686.
204. Valafar, H., and J.H. Prestegard. 2003 Rapid classification of a protein fold family using a statistical analysis of dipolar couplings. Bioinformatics 19(12):1549-1555. doi: 10.1093/bioinformatics/btg201.
203. Bougault, C.M., M.K. Eidsness, and J.H. Prestegard. 2003 Hydrogen bonds in rubredoxins from mesophilic and hyperthermophilic organisms. Biochemistry 42(15):4357-4372. doi: 10.1021/bi027264d.
202. Umemoto, K., H. Leffler, A. Venot, H. Valafar, and J. H. Prestegard. 2003 Conformational differences in liganded and unliganded states of Galectin-3. Biochemistry 42(13):3688-3695. doi: 10.1021/bi026671m.
201. Glushka, J.N., M. Terrell, W.S. York, M.A. O'Neill, A. Gucwa, A.G. Darvill, P. Albersheim, and J.H. Prestegard. 2003 Primary structure of the 2-O-methyl-α-L-fucose-containing side chain of the pectic polysaccharide rhamnogalacturonan II. Carbohydr. Res. 338(4):341-352. doi: 10.1016/S0008-6215(02)00461-5.
200. Jain, N.U., S. Noble, and J.H. Prestegard. 2003 Structural characterization of a mannose- binding protein-trimannoside complex using residual dipolar couplings. J. Mol. Biol. 328(2):451-462. doi: 10.1016/S0022-2836(03)00268-7.
199. Adams, M.W.W., H.A. Dailey, L.J. DeLucas, M.Luo, J.H. Prestegard, J.P. Rose, and B.C. Wang. 2003 The southeast collaboratory for structural genomics: a high-throughput gene to structure factory. Acc. Chem. Res. 36(3):191-198. doi: 10.1021/ar0101382.
198. Siriwardena, A.H., F. Tian, S. Noble, and J.H. Prestegard. 2002 A straightforward NMR-spectroscopy-based method for rapid library screening. Angew. Chem. Int. Ed. Engl. 41(18):3454-3457. doi: 10.1002/1521-3773(20020916)41:18<3454::AID-ANIE3454>3.0.CO;2-L.
Update in progress: Tuesday January 19, 2010
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