Thomas Szyperski's Complete List of Publications

  1. Szyperski, T. and Schwerdtfeger, P. (1989) On the Stability of Trioxo(η5-Cyclopentadienyl) Compounds of Manganese, Technetium and Rhenium: An ab initio SCF Study. Angew. Chem. Int. Ed. Engl. 28, 1228-1231
  2. Neri, D., Szyperski, T., Otting, G., Senn, H. and Wüthrich, K. (1989) Stereospecific Nuclear Magnetic Resonance Assignments of the Methyl Groups of Valine and Leucine in the DNA-Binding Domain of the 434 Repressor by Biosynthetically Directed Fractional 13C Labeling. Biochemistry 28, 7510-7516. PMID:2692701
  3. Szyperski, T., Neri, D., Leiting, B., Otting, G. and Wüthrich, K. (1992) Support of 1H NMR Assignments In Proteins by Biosynthetically Directed Fractional 13C-labeling. J. Biomol. NMR 2, 323-334. PMID:1324756
  4. Szyperski, T., Güntert, P., Otting, G. and Wüthrich, K. (1992) Determination of Scalar Coupling Constants by Inverse Fourier Transformation of In-Phase Multiplets. J. Magn. Reson. 99, 552-560.
  5. Szyperski, T, Güntert. P., Stone, S. R. and Wüthrich, K. (1992) Nuclear Magnetic Resonance Solution Structure of Hirudin(1-51) and Comparison with Corresponding Three-dimensional Structures Determined Using the Complete 65-Residue Hirudin Polypeptide Chain. J. Mol. Biol. 228, 1193-1205. PMID:1335515
  6. Szyperski, T., Güntert, P., Stone, S. R., Tulinsky, A., Bode, W., Huber, R. and Wüthrich, K. (1992) Impact of Protein-Protein Contacts on the Conformation of Thrombin-bound Hirudin Studied by Comparison with the Nuclear Magnetic Resonance Solution Structure of Hirudin(1-51). J. Mol. Biol. 228, 1206-1211. PMID:1474586
  7. Wüthrich, K., Szyperski, T., Leiting, B. and Otting, G. (1992) Biosynthetic Pathways of the Common Proteinogenic Amino Acids Investigated by Fractional 13C Labeling and NMR Spectroscopy. Frontiers and New Horizons in Amino Acid research, 41-48.
  8. Szyperski, T., Wider, G., Bushweller, J. H. and Wüthrich, K. (1993) 3D 13C-15N-heteronuclear Two-spin Coherence Spectroscopy for Polypeptide Backbone Assignments in 13C-15N-double-labeled Proteins. J. Biomol. NMR 3, 127-132. PMID:8448432
  9. Szyperski, T., Luginbühl, P., Otting, G., Güntert, P. and Wüthrich, K. (1993) Protein Dynamics studied by Rotating Frame 15N Spin Relaxation Times. J. Biomol. NMR 3, 151-164. PMID:7682879
  10. Szyperski, T., Wider, G., Bushweller, J. H. and Wüthrich, K. (1993) Reduced Dimensionality in Triple-Resonance NMR Experiments. J. Am. Chem. Soc. 115, 9307-9308.
  11. Szyperski, T., Scheek, S., Johansson, J., Assmann, G., Seedorf, U. and Wüthrich, K. (1993) NMR Determination of the Secondary Structure and the Three-dimensional Polypeptide Backbone Fold of the Human Sterol Carrier Protein 2. FEBS Lett. 335, 18-26. PMID: 8243660
  12. Johansson, J., Szyperski, T., Curstedt, T. and Wüthrich, K. (1994) The NMR Structure of the Pulmonary Surfactant-Associated Polypeptide SP-C in an Apolar Solvent Contains a Valyl-Rich α-Helix. Biochemistry 33, 6015-6023. PMID:8180229
  13. Szyperski, T., Antuch, W., Schick, M., Betz, A., Stone, S. R. and Wüthrich, K. (1994) Transient Hydrogen Bonds Identified on the Surface of the NMR Solution Structure of Hirudin. Biochemistry 33, 9303-9310. PMID:8049231
  14. Ottiger, M., Szyperski, T., Luginbühl, P., Ortenzi, C., Luporini, P., Bradshaw, R. A. and Wüthrich, K. (1994) The NMR Solution Structure of the Pheromone Er-2 From the Ciliated Protozoan Euplotes raikovi. Protein Science 3, 1515-1526. PMID:7833811 PMCID: PMC2142943
  15. Szyperski, T., Pellecchia, M. and Wüthrich, K. (1994) 3D Hα/βCα/β(CO)NHN, a Projected 4D NMR Experiment for the Sequential Correlation of Polypeptide 1Hα/β,13Cα/β and Backbone 15N and 1HN Chemical Shifts. J. Magn. Reson. B 105, 188-191.
  16. Szyperski, T., Pellecchia, M., Wall, D., Georgopoulos, C. and Wüthrich, K. (1994) NMR Structure Determination of the Escherichia coli DnaJ Molecular Chaperone: Secondary Structure and Backbone Fold of the N-terminal Region (residues 2-108) Containing the Highly Conserved J Domain. Proc. Natl. Acad. Sci. USA 91, 11343-11347. PMID:7972061 PMCID: PMC45227
  17. Smith, P. E., van Schaik, R. C., Szyperski, T., Wüthrich, K. and van Gunsteren, W. F. (1995) Internal Mobility of the Basic Pancreatic Trypsin Inhibitor in Solution: A Comparison of NMR Spin Relaxation Measurements and Molecular Dynamics Simulations. J. Mol. Biol. 246, 356-365. PMID: 7532721
  18. Johansson, J., Szyperski, T. and Wüthrich, K. (1995) Pulmonary Surfactant-Associated Polypeptide SP-C in Lipid Micelles: CD Studies of Intact SP-C and NMR Secondary Structure Determination of Depalmitoyl-SP-C(1-17). FEBS Lett. 362, 261-265. PMID: 7729509
  19. Szyperski, T., Braun, D., Fernández, C., Bartels, C. and Wüthrich, K. (1995) A Novel Reduced-Dimensionality Triple-Resonance Experiment for Efficient Polypeptide Backbone Assignment, 3D CO HN N CA. J. Magn. Reson. B 108, 197-203.
  20. Szyperski, T. (1995) Biosynthetically Directed Fractional 13C-labeling of Proteinogenic Amino Acids. An Efficient Analytical Tool to Investigate Intermediary Metabolism.  Eur. J. Biochem. 232, 433-448. PMID: 7556192
  21. Luginbühl, P., Szyperski, T. and Wüthrich, K. (1995) Statistical Basis for the Use of 13Cα Chemical Shifts in Protein Structure Determination. J. Magn. Reson. B 109, 229-233.
  22. Zerbe, O., Szyperski, T., Ottiger, M. and Wüthrich, K. (1996) Three-dimensional 1H-TOCSY-relayed ct-[13C,1H]-HMQC for Aromatic Spin System Identification in Uniformly 13C-labeled Proteins. J. Biomol. NMR 7, 99-106. PMID: 22911006
  23. Pellecchia, M., Szyperski, T., Wall, D., Georgopoulos, C. and Wüthrich, K. (1996) NMR Structure of the J-domain and the Gly/Phe-rich Region of the Escherichia Coli. DnaJ Chaperone. J. Mol. Biol. 260, 236-250. PMID: 8764403
  24. Szyperski, T., Braun, D., Banecki, B. and Wüthrich, K. (1996) Useful Information from Axial Peak Magnetization in Projected NMR Experiments. J. Am. Chem. Soc. 118, 8146-8147.
  25. Szyperski, T., Bailey, J. E. and Wüthrich, K. (1996) Detecting and Dissecting Metabolic Fluxes Using Biosynthetic Fractional 13C Labeling and Two-dimensional NMR Spectroscopy. Trends in Biotechnology 14, 453-459.
  26. Fernández, C., Szyperski, T., Bruyère, T., Ramage, P., Mösinger, E. and Wüthrich, K. (1997) NMR Solution Structure of the Pathogenesis-Related Protein P14a. J. Mol. Biol. 266, 576-593. PMID:9067611
  27. Pellecchia, M., Iwai, H., Szyperski, T. and Wüthrich, K. (1997) The 2D NMR Experiments H(C)CO2 and HCCO2 for Assignment and pH Titration of Carboxylate Groups in Uniformly 15N/13C-Labeled Proteins. J. Magn. Reson. 124, 274-278. PMID:9424317
  28. Sauer, U., Hatzimanikatis, V., Bailey, J. E., Hochuli, M., Szyperski, T. and Wüthrich, K. (1997) Metabolic Fluxes in Riboflavin-producing Bacillus subtilis. Nature Biotechnol. 15, 448-452. PMID: 9131624
  29. Szyperski, T., Fernández, C. and Wüthrich, K. (1997) Two-dimensional ct-HC(C)H-COSY for Resonance Assignments of Smaller 13C-labeled Biomolecules. J. Magn. Reson. 128, 228-232. PMID:9356277
  30. Szyperski, T., Ono, A., Fernández, C., Iwai, H., Tate, S., Wüthrich, K. and Kainosho, M. (1997) Measurement of 3JC2’P Scalar Couplings in a 17 kDa Protein Complex with 13C,15N-Labeled DNA Distinguishes the BI and BII Phosphate Conformations of the DNA. J. Am. Chem. Soc. 119, 9901-9902.
  31. Klimašauskas, S., Szyperski, T., Serva, S. and Wüthrich, K. (1998) Dynamic Modes of the Flipped-out Cytosine during HhaI Methyltransferase-DNA Interactions in Solution. EMBO J. 17, 317-324. PMID:9427765 PMCID: PMC1170382
  32. Szyperski, T., Fernández, C., Ono, A., Kainosho, M. and Wüthrich, K. (1998) Measurement of Deoxyribose 3JHH Scalar Couplings Reveals Protein Binding-Induced Changes in the Sugar Puckers of the DNA.  J. Am. Chem. Soc. 120, 821-822.
  33. Szyperski, T., Fernández, C., Mumenthaler, C. and Wüthrich, K. (1998) Structure Comparison of Human Glioma Pathogenesis-Related Protein GliPR and the Plant Pathogenesis-related Protein P14a Indicates a Functional Link between the Human Immune System and a Plant Defense System. Proc. Natl. Acad. Sci. USA 95, 2262-2266. PMID: 9482873 PMCID: PMC19313
  34. Szyperski, T., Banecki, B., Braun, D. and Glaser, R. W. (1998) Sequential Resonance Assignment of Medium-sized 15N/13C-labeled Proteins with Projected 4D Triple Resonance NMR Experiments. J. Biomol. NMR 11, 387-405.
  35. Fernández, C., Szyperski, T., Ono, A., Iwai, H., Tate, S., Kainosho, M. and Wüthrich, K. (1998) NMR with 13C,15N-doubly-labeled DNA: the Antennapedia Homeodomain Complex with a 14-mer DNA Duplex. J. Biomol. NMR 12, 25-37. PMID: 9729786
  36. Szyperski, T. (1998) 13C-NMR, MS and Metabolic flux Balancing in Biotechnology Research. Q. Rev. Biophys. 31, 41-106. PMID: 9717198
  37. Weber, F. E., Dyer, J. H., López Garcia, F., Werder, M., Szyperski, T., Wüthrich, K. and Hauser, H. (1998) In Pre-sterol Carrier Protein 2 (SCP2) in Solution the Leader Peptide 1-20 is Flexibly Disordered and the Residues 21-143 Adopt the Same Globular Fold as in Mature SCP2. Cell. Mol. Life Sci. 54, 751-759. PMID: 9711242
  38. Szyperski, T., Vandenbussche, G., Curstedt, T., Ruysschaert, J.-M., Wüthrich, K. and Johansson, J. (1998) Pulmonary Surfactant-associated Polypeptide C in a Mixed Organic Solvent Transforms From a Monomeric α-helical State Into Insoluble β-sheet Aggregates. Protein Sci. 7, 2533-2540. PMID: 9865947 PMCID: PMC2143885
  39. Pervushin, K., Ono, A., Fernández, C., Szyperski, T., Kainosho, M. and Wüthrich, K. (1998) NMR Scalar Couplings Across Watson-Crick Base Pair Hydrogen Bonds in DNA Observed by Transverse Relaxation-Optimized Spectroscopy. Proc. Natl. Acad. Sci. USA 95, 14147-14151. PMID: 9826668 PMCID: PMC24341
  40. Fiaux, J., Andersson, C. I. J., Holmberg, N., Bülow, L., Kallio, P. T., Szyperski, T., Bailey, J. E. and Wüthrich, K. (1999) 13C NMR Flux Ratio Analysis of Escherichia coli Central Carbon Metabolism in Microaerobic Bioprocesses. J. Am. Chem. Soc. 121, 1407-1408.
  41. Szyperski, T., Götte, M., Billeter, M., Perola, E., Cellai, L., Heumann, H. and Wüthrich, K. (1999). NMR Structure of the Chimeric Hybrid Duplex r(gcaguggc)·r(gcca)d(CTGC) Comprising the tRNA-DNA Junction Formed During Initiation of HIV-1 Reverse Transcription. J. Biomol. NMR 13, 343-355. PMID: 10353196
  42. Szyperski, T., Glaser, R. W., Hochuli, M., Fiaux, J., Sauer, U., Bailey, J. E. and Wüthrich, K. (1999) Bioreaction Network Topology and Metabolic Flux Ratio Analysis by Biosynthetic Fractional 13C Labeling and Two-dimensional NMR Spectroscopy. Metabolic. Eng. 1, 189-197. PMID:10937933
  43. Hochuli, M., Patzelt, H., Oesterhelt, D., Wüthrich, K. and Szyperski, T. (1999) Amino Acid Biosynthesis in the Halophilic Archaeon Haloarcula hispanica. J. Bacteriol. 181, 3226-3237. PMID:10322026 PMCID:  PMC93780
  44. Szyperski, T., Fernández, C., Ono, A., Wüthrich, K. and Kainosho, M. (1999) The 2D {31P} Spin-echo-difference Constant-time [13C, 1H]-HMQC Experiment for Simultaneous Determination of 3JH3’P and 3JC4’P in 13C-Labeled Nucleic Acids and Their Protein Complexes. J. Magn. Reson. 140, 491-494. PMID:10497056
  45. Fernández, C., Szyperski, T., Billeter, M., Ono, A., Iwai, H., Kainosho, M. and Wüthrich, K. (1999) Conformational Changes of the BS2 Operator DNA Upon Complex Formation with the Antennapedia Homeodomain Studied by NMR with 13C/15N-labeled DNA. J. Mol. Biol. 292, 609-617. PMID:10497025
  46. Sauer, U., Lasko, D. R., Fiaux, J., Hochuli, M., Glaser, R., Szyperski, T., Wüthrich, K. and Bailey, J. E. (1999) Metabolic Flux Ratio (METAFoR) Analysis of Genetic and Environmental Modulations of Escherichia coli Central Carbon Metabolism. J. Bacteriol. 181, 6679-6688. PMID:10542169 PMCID:  PMC94132
  47. Lopez Garcia, F., Szyperski, T., Dyer, J. H., Choinowski, T., Seedorf, U., Hauser, H. and Wüthrich, K. (2000) NMR Structure of the Sterol Carrier Protein-2: Implications for the Biological Role. J. Mol. Biol. 295, 595-603. PMID:10623549
  48. Sauer, U., Szyperski, T and Bailey, J. E. (2000) Future Trends in Complex Microbial Reaction Studies. In: Barbotin, J.-N., Portais, J.-C. editors. NMR in Microbiology: Theory and Application. Norfolk (UK): Horizon Scientific Press. 479-490.
  49. Skalicky, J. and Szyperski, T (2000) Two-Dimensional NMR Spectroscopy. In: Barbotin, J.-N., Portais, J.-C. editors. NMR in Microbiology: Theory and Application. Norfolk (UK): Horizon Scientific Press. 157-166.
  50. Hochuli, M., Szyperski, T. and Wüthrich, K. (2000) Deuterium Isotope Effects on the Central Carbon Metabolism of Escherichia coli Cells Grown on a D2O-containing Minimal Medium. J. Biomol. NMR 17, 33-42. PMID:10909864
  51. Skalicky, J. J., Sukumaran, D. K., Mills, J. L. and Szyperski, T. (2000) Toward Structural Biology in Supercooled Water. J. Am. Chem. Soc. 122, 3230-3231.
  52. Montelione, G. T., Zheng, D., Huang, Y., Gunsalus, K. C. and Szyperski, T. (2000) Protein NMR Spectroscopy in Structural Genomics. Nature Struc. Biol. 7, 982-985. PMID: 11104006
  53. Frey, A. D., Fiaux, J., Szyperski, T., Wüthrich, K., Bailey, J. E., and Kallio, P. T. (2001) Dissection of Central Carbon Metabolism of Hemoglobin-Expressing Escherichia coli by 13C Nuclear Magnetic Resonance Flux Distribution Analysis in Microaerobic Bioprocesses. Appl. Environ. Microbiol. 67, 680-687. PMID: 11157231 PMCID:  PMC92635
  54. Skalicky, J. J., Mills, J. L., Sharma, S. and Szyperski, T. (2001) Aromatic Ring-flipping in Supercooled Water: Implications for NMR-based Structural Biology of Proteins. J. Am. Chem. Soc. 123, 388-397. PMID:11456540
  55. Canonaco, F., Hess, T. A., Heri, S., Wang, T., Szyperski, T. and Sauer, U. (2001) Metabolic Flux Response to Phosphoglucose Isomerase Knock-out in Escherichia Coli and Impact of Overexpression of the Soluble Transhydrogenase UdhA. FEMS Microbiol. Lett. 204, 247-252. PMID:11731130
  56. Maaheimo, H., Fiaux, J., Cakar, Z. P., Bailey, J. E., Sauer, U. and Szyperski, T. (2001) Central Carbon Metabolism of Saccharomyces cerevisiae Explored by Biosynthetic Fractional 13C Labeling of Common Amino Acids. Eur. J. Biochem. 268, 2464-2479. PMID:11298766
  57. Emmerling, M., Dauner, M., Ponti, A., Fiaux, J., Hochuli, M., Szyperski, T., Wüthrich, K., Bailey, J. E. and Sauer, U. (2001) Metabolic Flux Response to Pyruvate Kinase Knockout in Escherichia Coli.  J. Bacteriol. 184, 152-164. PMID:11741855 PMCID:  PMC134756
  58. Dauner, M., Sonderegger, M., Hochuli, M., Szyperski, T., Wüthrich, K., Hohmann, H. P., Sauer, U. (2002) Intracellular Carbon Fluxes in Riboflavin-Producing Bacillus subtilis during Growth on Two-Carbon Substrate Mixtures. Appl. Environ. Microbiol. 68, 1760-1771. PMID:11916694 PMCID:  PMC123836
  59. Monleón, D., Colson, K., Moseley, H. N. B., Anklin, C., Oswald, R., Szyperski, T. and Montelione, G. T. (2002) Rapid Analysis of Protein Backbone Resonance Assignments using Cryogenic Probes, a Distributed Linux-based Computing Architecture, and an Integrated Set of Spectral Analysis Tools. J. Struc. Func. Genomics 2, 93-101. PMID: 12836666
  60. Szyperski, T., Yeh, D. C., Sukumaran, D. K., Moseley, H. N. B. and Montelione, G. T. (2002) Reduced-dimensionality NMR Spectroscopy for High-Throughput Protein Resonance Assignment. Proc. Natl. Acad. Sci. USA 99, 8009-8014. PMID:12060747 PMCID: PMC123011
  61. Szymczyna, B. R., Pineda-Lucena, A., Mills, J. L., Szyperski, T. and Arrowsmith, C. (2002) 1H, 13C and 15N Resonance Assignments and Secondary Structure of the PWI Domain from SRm160 using Reduced Dimensionality NMR. J. Biomol. NMR 22, 299-300. PMID: 11991360
  62. Mills, J. L. and Szyperski, T. (2002) Protein Dynamics in Supercooled Water: The Search for Slow Motional Modes. J. Biomol. NMR 23, 63-67. PMID:12061719
  63. Szyperski, T. (2002) Strukturelle Genomik. Nachrichten aus der Chemie 50, 1128-1131.
  64. Xia, Y., Arrowsmith, C. H. and Szyperski, T. (2002) Novel Projected 4D Triple Resonance Experiments for Polypeptide Backbone Chemical Shift Assignment. J. Biomol. NMR 24, 41-50. PMID:12449417
  65. Gong, B., Zeng, H., Zhu, J., Yua, L., Han, Y., Cheng, S., Furukawa, M., Parra, R. D., Kovalevsky, A. Y., Mills, J. L., Skrzypczak-Jankun, E., Martinovic, S., Smith, R. D., Zheng, C., Szyperski, T. and Zeng, X. C. (2002) Creating Nanocavities of Tunable Sizes: Hollow Helices. Proc. Natl. Acad. Sci. USA 99, 11583-11588. PMID:12177422 PMCID:  PMC129312
  66. Fiaux, J., Cakar, Z. P., Sonderegger, M., Wüthrich, K., Szyperski, T. and Sauer, U. (2003) Metabolic-Flux Profiling of the Yeasts Saccharomyces cerevisiae and Pichia stipitis. Eukaryotic Cell 2, 170-180. PMID:12582134 PMCID:  PMC141173
  67. Kim, S. and Szyperski, T. (2003) GFT NMR, a New Approach to Rapidly Obtain Precise High-Dimensional NMR Spectral Information. J. Am. Chem. Soc. 125, 1385-1393. PMID: 12553842
  68. Daujotytė, D., Vilkaitis, G., Manelytė, L., Skalicky, J., Szyperski, T. and Klimašauskas, S. (2003) Solubility Engineering of the HhaI Methyltransferase. Protein Eng. 16, 295-301. PMID:12736373
  69. Liu, G., Mills, J. L., Hess, T. A., Kim, S., Skalicky, J. J., Sukumaran, D. K., Kupce, E., Skerra, A., Szyperski, T. (2003) Resonance Assignments for the 21 kDa Engineered Fluorescein-binding Lipocalin FluA. J. Biomol. NMR 27, 187-188. PMID: 12913418
  70. Aramini, J. M., Mills, J. L., Xiao, R., Acton, T. B., Wu, M. J., Szyperski, T. and Montelione, G. T. (2003) Letter to the Editor: Resonance Assignments for the Hypothetical Protein yggU from Escherichia coli. J. Biomol. NMR 27, 285-286. PMID:12975589
  71. Monleón, D., Chiang, Y., Aramini, J. M., Swapna, G. V. T., Macapagal, D., Gunsalus, K. C., Kim, S., Szyperski, T. and Montelione, G. T. (2004) Letter to the Editor: Backbone 1H, 15N and 13C Assignments for the 21 kDa Caenorhabditis elegans Homologue of ‘Brain-Specific’ Protein. J. Biomol. NMR 28, 91-92. PMID: 14739645
  72. Kim, S. and Szyperski, T. (2004) GFT NMR Experiments for Polypeptide Backbone and 13Cβ Chemical Shift Assignment. J. Biomol. NMR 28, 117-130. PMID:14755156
  73. Xu, D., Liu, G., Xiao, R., Acton, T., Goldsmith-Fischman, S., Honig, B., Montelione, G. T. and Szyperski, T. (2004) NMR Structure of the Hypothetical Protein AQ-1857 Encoded by the Y157 Gene from Aquifex aeolicus Reveals a Novel Protein Fold. Proteins 54, 794-796. PMID:14997575
  74. Liu, G., Sukumaran, D. K., Xu, D., Chiang, Y., Acton, T., Goldsmith-Fischman, S., Honig, B., Montelione, G. T. and Szyperski, T. (2004) NMR Structure of the Hypothetical Protein NMA1147 from Neisseria meningitidis Reveals a Distinct 5-Helix Bundle. Proteins 55, 756-758. PMID:15103637
  75. Herve du Penhoat, C., Atreya, H. S., Shen, Y., Liu, G., Acton, T. B., Xiao, R., Li, Z., Murray, D., Montelione, G. T. and Szyperski, T. (2004) The NMR Solution Structure of the 30S Ribosomal Protein S27e Encoded in Gene RS27_ARCFU of Archaeoglobus fulgidis Reveals a Novel Protein Fold. Protein Sci. 13, 1407-1416. PMID: 15096641 PMCID:  PMC2286747
  76. Solà, A., Maaheimo, H., Ylönen, K., Ferrer, P. and Szyperski, T. (2004) Amino Acid Biosynthesis and Metabolic Flux Profiling of Pichia pastoris. Eur. J. Biochem. 271, 2462-2470. PMID:15182362
  77. Zamboni, N., Maaheimo, H., Szyperski, T., Hohmann, H.-P., and Sauer, U. (2004) The Phosphoenolpyruvate Carboxykinase also Catalyzes C3 Carboxylation at the Interface of Glycolysis and the TCA Cycle of Bacillus subtilis. Metabolic Eng. 6, 277-284. PMID: 15491857
  78. Shen, Y., Atreya, H. S., Xiao, R., Acton, T. B., Shastry, R., Ma, L., Montelione, G. T. and Szyperski, T. (2004) Letter to the Editor: Resonance Assignments for the 18 kDa Protein CC1736 from Caulobacter crescentus. J. Biomol. NMR 29, 549-550. PMID:15243193
  79. Moseley, H. N. B., Riaz, N., Aramini, J. M., Szyperski, T. and Montelione, G. T. (2004) A Generalized Approach to Automated NMR Peak List Editing: Application to Reduced Dimensionality Triple Resonance Spectra. J. Magn. Reson. 170, 263-277. PMID:15388090
  80. Atreya, H. S. and Szyperski, T (2004) G-matrix Fourier Transform NMR Spectroscopy for Complete Protein Resonance Assignment. Proc. Natl. Acad. Sci. USA 101, 9642-9647. PMID:15210958 PMCID: PMC470728
  81. Yuan, L., Zeng, H., Yamato, K., Sanford, A. R., Feng, W., Atreya, H. S., Sukumaran, D. K., Szyperski, T. and Gong, B. (2004) Helical Aromatic Oligoamides: Reliable, Readily Predictable Folding from the Combination of Rigidified Structural Motifs. J. Am. Chem. Soc. 126, 16528-16537. PMID:15600357
  82. Atreya, H. S. and Szyperski, T. (2005) Rapid NMR Data Collection. Methods Enzymol. 394, 78-108. PMID:15808218
  83. Huang, Y. J., Moseley, H., Baran, M. C., Arrowsmith, C., Powers, R., Tejero, R., Szyperski, T. and Montelione, G. T. (2005) An Integrated Platform for Automated Analysis of Protein NMR Structures. Methods Enzymol. 394, 111-140. PMID:15808219
  84. Shen, Y., Goldsmith-Fischman, S., Atreya, H. S., Acton, T., Ma, L., Xiao, R., Honig, B., Montelione, G. T. and Szyperski, T. (2005) NMR Structure of the 18 kDa Protein CC1736 From Caulobacter crescentus Identifies a Member of the “START” Domain Superfamily and Suggests Residues Mediating Substrate Specificity. Proteins 58, 747-750. PMID: 15616961
  85. Liu, G., Li, Z., Chiang, Y., Acton, T., Montelione, G. T., Murray, D. and Szyperski, T. (2005) High-quality Homology Models Derived from NMR and X-ray Structures of E. coli Proteins Y gdK and Suf E Suggest that All Members of the Y gdK/Suf E Protein Family are Enhancers of Cysteine Desulfurases. Protein Sci. 14, 1597-1608. PMID: 15930006 PMCID:  PMC2253389
  86. Hervé du Penhoat, C., Li, Z., Atreya, H. S., Kim, S., Yee, A., Xiao, R., Murray, D., Arrowsmith, C. H. and Szyperski, T. (2005) NMR Solution Structure of Thermotoga maritima Protein TM1509 Reveals a Zn-metalloprotease-like Tertiary Structure. J. Struc. Func. Genomics 6, 51-62. PMID:15965736
  87. Szyperski, T. (2005). Protein NMR Spectroscopy. In: Meyers, R.A., editor. Encyclopedia of Molecular Cell Biology and Molecular Medicine. Wiley-CH, Weinheim.
  88. Atreya, H. S., Eletsky, A. and Szyperski, T. (2005) Resonance Assignment of Proteins with High Shift Degeneracy Based on 5D Spectral Information Encoded in G2FT NMR Experiments.  J. Am. Chem. Soc. 127, 4554-4555. PMID:15796503
  89. Shen, Y., Atreya, H. S., Liu, G. and Szyperski, T. (2005) G-matrix Fourier Transform NOESY-Based Protocol for High-Quality Protein Structure Determination. J. Am. Chem. Soc. 127, 9085-9099.  PMID: 15969587
  90. Liu, G., Aramini, J., Atreya, H. S., Eletsky, A., Xiao, R., Acton, T., Ma, L. C., Montelione, G. T. and Szyperski, T. (2005) GFT NMR Based Resonance Assignment for the 21 kDa Human Protein UFC1. J. Biomol. NMR  32, 261. PMID:16132835
  91. Pineda-Lucena, A., Ho, C. S. W., Mao, D. Y. L., Sheng, Y., Laister, R. C., Muhandiram, R., Lu, Y., Seet, B. T., Katz, S., Szyperski, T., Penn, L. Z. and Arrowsmith, C. H. (2005) A Structure-based Model of the c-Myc/Bin1 Protein Interaction Shows Alternative Splicing of Bin1 and c-Myc Phosphorylation are Key Binding Determinants. J. Mol. Biol. 351, 182-194. PMID:15992821
  92. Liu, G., Shen, Y., Atreya, H. S., Parish, D., Shao, Y., Sukumaran, D., Xiao, R., Yee, A, Lemak, A., Bhattacharya, A., Acton, T. A., Arrowsmith, C. H., Montelione, G. T. and Szyperski, T. (2005) NMR Data Collection and Analysis Protocol for High-throughput Protein Structure Determination. Proc. Natl. Acad. Sci. USA 102, 10487-10492.  PMID: 16027363 PMCID: PMC1180791
  93. Eletsky, A., Atreya, H. S., Liu, G. and Szyperski, T. (2005) Probing Structure and Functional Dynamics of (Large) Proteins with Aromatic Rings: L-GFT-TROSY (4,3)D HCCH NMR Spectroscopy.  J. Am. Chem. Soc. 127, 14578-14579.  PMID:16231903
  94. Szyperski, T., Mills, J. L., Perl, D. and Balbach, J. (2006) Combined NMR-observation of Cold Denaturation in Supercooled Water and Heat Denaturation Enables Accurate Measurement of ΔCp of Protein Unfolding. Eur. Biophys. J. 35, 363-366. PMID:16240113
  95. Szyperski, T. (2006) Principles and Application of Projected Multidimensional NMR Spectroscopy – G-matrix Fourier Transform NMR. Springer Series in Biophysics 10, (Advanced Techniques in Biophysics), 147-162.
  96. Liu, G., Shen, Y., Xiao, R., Acton, T., Ma, L. C., Joachimiak, A., Montelione, G. T. and Szyperski, T. (2006) NMR Structure of Protein yqbG from Bacillus subtilis Reveals a Novel α-Helical Protein Fold. Proteins 62, 288-291. PMID:16281282
  97. Szyperski, T. and Atreya, H. S. (2006) Principles and Applications of GFT Projection NMR Spectroscopy. Magn. Reson. Chem. 44, S51-S60. PMID:16826541
  98. Mukherjee, S., Muralidhar, D., Atreya, H. S., Szyperski, T., Jeromin, A., Sharma, Y. and Chary, K. V. R. (2006) 1H, 13C and 15N Chemical Shift Assignments for Neuronal Calcium Sensor-1, a Multi-functional Calcium-binding Protein. J. Biomol. NMR, 36, Suppl 1:48. PMID:16804767
  99. Lin, Y-C., Liu, G., Shen, Y., Bertonati, C., Yee, A., Honig, B., Arrowsmith, C. H., and Szyperski, T. (2007) NMR Structure of Protein PA2021 from Pseudomonas aeruginosa. Proteins 65, 767-770. PMID:16927296
  100. Solà, A., Jouhten, P., Maaheimo, H., Sànchez-Ferrando, F. and Szyperski, T., Ferrer, P. (2007) Metabolic Flux Profiling of Pichia pastoris Grown on Glycerol/methanol Mixtures in Chemostat Cultures at Low and High Dilution Rates. Microbiology 153, 281-290. PMID: 17185557
  101. Singarapu, K. K., Liu, G., Xiao, R., Bertonati, C., Honig, B., Montelione, G. T. and Szyperski, T. (2007) NMR Structure of Protein yjbR from Escherichia coli Reveals 'Double-wing' DNA Binding Motif. Proteins 67, 501-504. PMID:17266124
  102. Atreya, H. S., Garcia, E., Shen, Y. and Szyperski, T. (2007).  J-GFT NMR for Precise Measurement of Mutually Correlated Nuclear Spin-Spin Couplings.  J. Am. Chem. Soc. 129, 680-692. PMID:17227032
  103. Szyperski, T. (2007). Protein NMR Spectroscopy. In: Meyers, R.A., editor. Proteins. From Analytics to Structural Genomics. Wiley-CH, Weinheim.
  104. Singarapu, K. K., Xiao, R., Sukumaran, D. K., Acton, T., Montelione, G. T. and Szyperski, T. (2008) NMR structure of protein Cgl2762 from Corynebacterium glutamicum implicated in DNA transposition reveals a helix-turn-helix motif attached to a flexibly disordered leucine zipper. Proteins 70, 1650-1654. PMID:18175328
  105. Shen, Y. and Szyperski, T. (2008) Structure of the Protein BPTI Derived with the NOESY in Supercooled water: Validation and Refinement of Solution Structures.   Angew. Chem. Int. Ed. Engl. 47, 324-326. PMID:17994654
  106. Singarapu, K. K., Xiao, R., Acton, T., Rost, B., Montelione, G. T. and Szyperski, T. (2008) NMR Structure of the Peptidyl-tRNA Hydrolase Domain from Pseudomonas syringae Expands the Structural Coverage of the Hydrolysis Domains of Class 1 Peptide Chain Release Factors. Proteins 71, 1027-1031. PMID:18247350
  107. Li, M., Yamato, K., Ferguson, J. S., Singarapu, K. K., Szyperski, T. and Gong, B. (2008) Sequence-specific, Dynamic Covalent Crosslinking in Aqueous Media. J. Am. Chem. Soc. 130, 491-500. PMID:18092773
  108. Zhang, Q., Atreya, H. S., Kamen, D. E., Girvin, M. E. and Szyperski, T. (2008) GFT Projection NMR Based Resonance Assignment of Membrane Proteins: Application to Subunit of E. coli F(1)F(0) ATP Synthase in LPPG Micelles. J. Biomol. NMR 40, 157-163.  PMID:18273680
  109. Shen, Y., Lange, O., Delaglio, F., Rossi, P., Aramini, J. M., Liu, G., Eletsky, A., Wu, Y., Singarapu, K. K., Lemak, A., Ignatchenko, A., Arrowsmith, C. H., Szyperski, T., Montelione, G. T., Baker, D. and Bax, A. (2008) Consistent Blind Protein Structure Generation from NMR Chemical Shift Data. Proc. Natl. Acad. Sci. USA 105, 4685-4690. PMID:18326625 PMCID: PMC2290745
  110. Parish, D. M. and Szyperski, T. (2008) Simultaneously Cycled NMR Spectroscopy. J. Am. Chem. Soc. 130, 4925-4933. PMID:18338896
  111. Szyperski, T. (2008) On NMR-based Structural Proteomics. In: Structural Proteomics (Eds. J.L. Sussman and I. Silman), World Scientific Publishing, New York.
  112. Snyder, D. A., Ghosh, A., Zhang, F., Szyperski, T. and Bruschweiler, R. (2008) Z-matrix Formalism for Quantitative Noise Assessment of Covariance Nuclear Magnetic Resonance Spectra. J. Chem. Phys. 129, 104511.  PMID:19044928 PMCID: PMC2669766
  113. Parish, D., Benach, J., Liu, G., Singarapu, K. K., Xiao, R., Acton, T., Su, M., Bansal, S., Prestegard, J. H., Hunt, J., Montelione, G. T. and *Szyperski, T. (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 motive. J. Struc. Funct. Genomics 9, 41-49.  PMID:19039680 PMCID: PMC2850599 NIHMS180356
  114. Liu, G., Forouhar, F., Eletsky, A., Atreya, H. S., Aramini, J. M., Xiao, R., Huang, Y. J., Abashidze, M., Seetharaman, J., Liu, J., Rost, B., Acton, T., Montelione, G. T., Hunt, J. F. and Szyperski, T. (2009) NMR and X-RAY Structures of Human E2-like Ubiquitin-fold Modifier Conjugating Enzyme 1 (UFC1) Reveal Structural and Functional Conservation in the Metazoan UFM1-UBA5-UFC1 Ubiquination Pathway. J. Struc. Funct. Genomics 10:127-136. PMID:19101823 PMCID: PMC2850604 NIHMS180335
  115. Wu, Y., Ghosh, A. and Szyperski, T. (2009) Clean Absorption-Mode NMR Data Acquisition. Angew. Chem. Int. Ed. Engl. 48, 1479-1483. PMID:19140147 PMCID: PMC3018340 NIHMS148775
  116. Montelione, G. T., Arrowsmith, C. H., Girvin, M. E., Kennedy, M. A., Markley, J. L., Powers, R., Prestegard, J. H. and Szyperski, T. (2009) Unique Opportunities for NMR Methods in Structural Genomics. J. Struc. Funct. Genomics 10, 101-106. PMID: 19288278 PMCID: PMC2705713
  117. Yamamoto, S., Eletsky, A., Szyperski, T., Hay, J. and Ruyechan, W. T. (2009) Analysis of the Varicella-zoster Virus IE62 N-terminal Acidic Transactivating Domain and its Interaction with the Human Mediator Complex. J. Virol. 83, 6300-6305. PMID: 19357160 PMCID: PMC2687382
  118. Eletsky, A., Sukumaran, D. K., Xiao, R., Acton, T. B., Rost, B., Montelione, G. T. and Szyperski, T. (2009) NMR Structure of Protein YvyC from Bacillus subtilis Reveals Unexpected Structural Similarity Between Two PFAM families. Proteins 76, 1037-1041. PMID: 19455708 PMCID: PMC2735722 NIHMS130534
  119. Wu, Y., Ghosh, A. and Szyperski, T. (2009) Clean Absorption Mode NMR Data Acquisition Based on Time-Proportional Phase Incrementation. J. Struc. Funct. Genomics 10, 227-232. PMID: 19499349 PMCID: PMC2850597 NIHMS180353
  120. Mills, J. L., Liu, G., Skerra, A. and Szyperski, T. (2009) NMR Structure and Dynamics of the Engineered Fluorescein-binding Lipocalin FluA Reveal Rigidification of Beta-barrel and Variable Loops Upon Enthalpy-driven Ligand Binding. Biochemistry 11, 7411-7419. PMID: 19603796 PMCID: PMC2860743 NIHMS132867
  121. Sukumaran, D. K., Garcia, E., Hua, J., Tabaczynski, W., Odunsi, K., Andrews, C. and *Szyperski, T. (2009) Standard Operating Procedure For Metabonomics Studies of Blood Serum and Plasma Samples Using a 1H-NMR Micro-flow Probe. Magn. Reson. Chem. 47: S81-S85. PMID: 19688872
  122. Das, R., Andre, I., Shen, Y., Wu, Y., Lemak, A., Bansal, S., Arrowsmith, C. H., Szyperski, T. and Baker, D. (2009) Simultaneous Prediction of Protein Folding and Docking at High Resolution. Proc. Natl. Acad. Sci. USA 106, 18978-18983.  PMID: 19864631 PMCID: PMC2770007
  123. Singarapu, K. K., Mills, J. L., Xiao, R., Acton, T., Punta, M., Fischer, M., Honig, B., Rost, B., Montelione, G. T. and Szyperski, T. (2010) Solution NMR structures of Proteins VPA0419 from Vibrio parahaemolyticus and yiiS from Shigella flexneri Provide Structural Coverage for Protein Domain Family PFAM 04175. Proteins 78, 779-784.  PMID: 19927321 PMCID: PMC2860719 NIHMS156040
  124. Raman, S., Lange, O. F., Rossi, P., Tyka, M., Wang, X., Aramini, J., Liu, G., Ramelot, T. A., Eletsky, A., Szyperski, T, Kennedy, M. A., Prestegard, J., Montelione, G. T. and Baker, D. (2010) NMR Structure Determination for Larger Proteins using Backbone-only Data. Science 327:1014-1018. PMID: 20133520 PMCID: PMC2909653 NIHMS211856
  125. Montelione, G.T. and Szyperski, T. (2010) Advances in Protein NMR Provided by the NIGMS Protein Structure Initiative: Impact on Drug Discovery. Curr. Opin. Drug Discov. 13, 335-349. PMID: 20443167
  126. Love, J., Mancia, F., Shapiro, L., Punta, M., Rost, B., Girvin, M., Wang, D. N., Zhou, M., Hunt, J. F., Szyperski, T., Gouaux, E., MacKinnon, R., McDermott, A., Honig, B., Inouye, M., Montelione, G. T., and Hendrickson, W. A. (2010) The New York Consortium on Membrane Protein Structure Determination: a High-throughput Platform for Structural Genomics of Integral Membrane Proteins. J. Struct. Funct. Genomics 11, 191-199. PMID: 20690043 PMCID: PMC3099345 NIHMS233280
  127. Jha R.K., Leaver-Fay, A., Yin, S., Wu, Y., Butterfoss, G.L., Szyperski, T., Dokholyan, N.V., and Kuhlman, B. (2010) Computational Design of a PAK1 Binding Protein. J. Mol. Biol. 400, 257-270. PMID: 20460129 PMCID: PMC2903434 NIHMS212557
  128. Franks, W. T., Atreya, H. S., Szyperski, T. and Rienstra, C. M. (2010) GFT Projection NMR Spectroscopy for Proteins in the Solid State. J. Biomol. NMR 48, 213-223. PMID: 21052779 PMCID: PMC3058792 NIHMS265136
  129. Garcia, E., Andrews, C., Hua, J., Kim, H. L., Sukumaran, D. K., Szyperski, T. and Odunsi, K. (2011) Diagnosis of Early Stage Ovarian Cancer by 1H NMR Metabonomics of Serum Explored by Use of a Microflow NMR Probe. J. Proteome Res. 10: 1765-1771. PMID: 21218854 PMCID: PMC3074977 NIHMS275348
  130. Szyperski, T. and Montelione, G. T. (2011) Advances in NMR-based Structural Genomics. In: Biomolecular NMR Spectroscopy (Eds. A.J. Dingley and S.M. Pascal), IOS Press, Amsterdam.
  131. Eletsky, A., Ruyechan, W. T., Xiao, R., Acton, T. B., Montelione, G. T. and Szyperski, T. (2011) Solution NMR structure of MED25(391-543) Comprising the Activator-interacting Domain (ACID) of Human Mediator Subunit 25. J. Struct. Funct. Genomics 12:159-166. PMID: 21785987 PMCID: PMC3609412 NIHMS405907
  132. Szyperski, T. and Mills, J. L. (2011) NMR-based Structural Biology in Supercooled Water. J. Struct. Funct. Genomics 12:1-7. PMID: 21533787
  133. Ghosh, A., Wu, Y., He, Y. and Szyperski, T. (2011) Theory of Mirrored Time Domain sampling. J. Magn. Reson. 213:46-57. PMID: 21974999
  134. Der, B. S., Machius, M., Miley, M. J., Mills, J. L., Szyperski, T. and Kuhlman, B. (2012) Metal-Mediated Affinity and Orientation Specificity in a Computationally Designed Protein Homodimer. J. Am. Chem. Soc. 134:375-85. PMID:22092237 PMCID: PMC3257401 NIHMS344730
  135. Eletsky, A., Acton, T. B., Xiao, R., Everett, J. K., Montelione, G. T. and Szyperski, T. (2012) Solution NMR Structures Reveal a Distinct Architecture and Provide First Structures for Protein Domain Family PF04536. J. Struct. Funct. Genomics 13:9-14. PMID:22198206 PMCID: PMC3609422 NIHMS405906
  136. Eletsky, A., Petrey, D., Zhang, Q. C., Lee, H. W., Acton, T. B., Xiao, R., Everett, J. K., Prestegard, J. H., Honig, B., Montelione, G. T. and Szyperski, T. (2012) Solution NMR Structures Reveal Unique Homodimer Formation by a Winged Helix-turn-helix Motif and Provide First Structures for Protein Domain Family PF10771. J. Struct. Funct. Genomics 13:1-7. PMID: 22223187 NIHMS405905
  137. Rosato A., Aramini, J. M., Arrowsmith C., Bagaria A., Baker D., Cavalli A., Doreleijers, J. F., Eletsky, A., Giachetti, A., Guerry, P., Gutmanas, A., Güntert, P., He, Y., Herrmann, T., Huang, Y.J., Jaravine, V., Jonker, H. R., Kennedy, M. A., Lange, O. F., Liu, G., Malliavin, T. E., Mani, R., Mao, B., Montelione, G. T., Nilges, M., Rossi, P., van der Schot, G., Schwalbe, H., Szyperski, T. A., Vendruscolo, M., Vernon, R., Vranken ,W. F., Vries, S.d., Vuister, G. W., Wu, B., Yang, Y., Bonvin, A. M. (2012) Blind Testing of Routine, Fully Automated Determination of Protein Structures from NMR Data. Structure 20:227-236. PMID: 22325772 PMCID: PMC3609704 NIHMS353547
  138. Murphy, G. S., Mills, J. L., Miley, M. J., Machius, M., Szyperski, T. and Kuhlman, B. (2012) Increasing Sequence Diversity with Flexible Backbone Protein Design: the Complete Redesign of a Protein Hydrophobic core. Structure 20:1086-1096. PMID: 22632833 PMCID: PMC3372604 NIHMS374182
  139. Thompson, J. M., Sgourakis, N. G., Liu, G., Rossi, P., Tang, Y., Mills, J. L., Szyperski, T., Montelione, G. T. and Baker, D. (2012) Accurate Protein Structure Modeling using Sparse NMR Data and Homologous Structure Information. Proc. Natl. Acad. Sci. USA 109:9875-9880. PMID:22665781 PMCID: PMC3382498
  140. Wu, Y., Punta, M., Xiao, R., Acton, T. B., Sathyamoorthy, B., Dey, F., Fischer, M., Skerra, A., Rost, B., Montelione, G. T. and Szyperski T. (2012) NMR Structure of Lipoprotein YxeF from Bacillus subtilis Reveals a Calycin Fold and Distant Homology with the Lipocalin Blc from Escherichia coli. PLoS One 7:e37404. PMID:22693626 PMCID: PMC3367933
  141. Eletsky, A., Jeong, M.Y., Kim, H., Lee, H.W., Xiao, R., Pagliarini, D.J., Prestegard, J.H., Winge, D.R., Montelione, G.T., Szyperski, T. (2012) Solution NMR Structure of Yeast Succinate Dehydrogenase Flavinylation Factor Sdh5 Reveals a Putative Sdh1 Binding Site. Biochemistry 51:8475-8477. PMID:23062074
  142. Reig, A.J., Pires, M.M., Snyder, R.A., Wu, Y., Jo, H., Kulp, D.W., Butch, S.E., Calhoun, J.R., Szyperski, T., Solomon, E.L., DeGrado, W.F. (2012) Alteration of the Oxygen-Dependent Reactivity of de novo Due Ferri Proteins. Nat. Chem. 4:900-906. PMID:23089864 PMCID: PMC3568993 NIHMS399993
  143. Rinaudo, P., Shen, S., Hua, J., Qian, S., Prabhu, U., Garcia, E., Cedars, M., Sukumaran, D., *Szyperski, T., Andrews, C. (2012) (1)H NMR Based Profiling of Spent Culture Media Cannot Predict Success of Implantation for Day 3 Human Embryos. J. Assist. Reprod. Genet. 29:1435-1442. PMID:23090745 PMCID: PMC3528870
  144. Atreya, H.S., Sathyamoorthy, B., Jaipuria, G., Beaumont, V., Varani, G., *Szyperski, T. (2012) GFT Projection NMR for Efficient (1)H/(13)C Sugar Spin System Identification in Nucleic Acids. J. Biomol. NMR 54:337-342. PMID:23192291 [PubMed in progress]
  145. Manning, K.A., Sathyamoorthy, B., Eletsky, A., Szyperski, T., Murkin, A.S. (2012) Highly Precise Measurement of Kinetic Isotope Effects Using 1H-Detected 2D [13C,1H]-HSQC NMR Spectroscopy. J. Am. Chem. Soc. 134:20589-20592. PMID:23215000
  146. Mills, J.L., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., *Szyperski, T. (2013) Solution NMR structure of the Helicase Associated Domain BVU_0683(627-691) from Bacteroides vulgatus Provides First Structural Coverage for Protein Domain Family PF03457 and Indicates Domain Binding to DNA. J Struct. Funct. Genomics 14: 19-24. PMID:23160728 NIHMS423432
  147. Sathyamoorthy, B., Singarapu, K.K., Garcia, A.E., *Szyperski, T. (2013) Protein Conformational Space Populated in Solution Probed with Aromatic Residual Dipolar (13)C-(1)H Couplings. ChemBioChem 14:684-688. PMID:23494854
  148. Pulavarti, S.V., He, Y., Feldmann, E.A., Eletsky, A., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A., Szyperski, T. (2013) Solution NMR Structures Provide First Structural Coverage of the Large Protein Domain Family PF08369 and Complementary Structural Coverage of Dark Protochlorophyllide Oxidoreductase Complexes. J.  Struct. Funct. Genomics 14: 119-126. PMID: 23963952
  149. Pulavarti, S.V., Eletsky, A., Lee, H.W., Acton, T.B., Xiao, R., Everett, J.K., Prestegard, J.H., Montelione, G.T., Szyperski, T. (2013) Solution NMR structure of CD1104D from Pathogenic Clostridium Difficile Reveals a Distinct a-Helical Architecture and Provides First Structural Representative of Protein Domain Family PF14203. J. Struct. Funct. Genomics 14: 155-160. PMID:24048810
  150. Stark, J.L., Copeland, J.C., Eletsky, A., Somerville, G.A., Szyperski, T., Powers, R. (2014) Identification of Low-molecular-weight Compounds Inhibiting Growth of Corynebacteria: Potential Lead Compounds for Anitibiotics. ChemMedChem 9:282-285. PMID:24403054
  151. Muppidi, A., Doi, K., Edwardraja, S., Pulavarti, S.V., Szyperski, T., Wang, H.G., Lin, Q. (2014) Targeted Delivery of Ubiquitin-conjugated BH3 Peptide-based Mcl-1 Inhibitors into Cancer Cells. Bioconj. Chem. 24:424-432. PMID:24410055
  152. Sathyamoorthy, B., Parish, D.M., Montelione, G.T., Xiao, R., Szyperski, T. (2014) Spatially Selective Heteronuclear Multiple-quantum (HMQC) Spectroscopy for Bio-molecular Studies. ChemPhysChem 15:1872-1879. PMID:24789578.
  153. Liu, G., Poppe, L., Aoki, K., Yamane, H., Lewis, J., Szyperski, T. (2014) High-quality NMR Structure of Human Anti-apoptotic Protein Domain Mcl-1(171-327) for Cancer Drug Design.
    PLoS One 9:e96521. PMID:24789074
  154. Xu, X., Pulavarti, S.V., Eletsky, A., Huang, Y.J., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Szyperski, T. (2014) Solution NMR Structures of Homeodomains from Human Proteins ALX4, ZHX1, and CASP8AP2 Contribute the Structural Coverage of the Human Cancer Protein Interaction Network. J. Struct. Funct. Genomics 15: 201-207. PMID:24941917
  155. Pulavarti, S.V., Huang, Y.P., Pederson, K., Acton, T.B., Xiao, R. Everett, J.K., Prestegard, J.H., Montelione, G.T., Szyperski, T. (2014) Solution NMR Structures of Immunoglobulin-like Domains 7 and 12 from Obscurin-like Protein 1 Contribute the Structural Coverage of the Human Cancer Protein Interaction Network. J. Struct. Funct. Genomics 15: 209-214. PMID:24989974
  156. Eletsky, A., Michalska, K., Houliston, S., Zhang, Q., Daily, M.D., Xu, X., Cui, H., Yee, A., Lemak, A, Wu, B., Garcia, M., Burnet, M.C., Meyer, K.M., Aryal, U.K., Sanchez, O., Ansong, C., Xiao, R., Acton, T.B., Adkins, J.N., Montelione, G.T., Joachimiak, A., Arrowsmith, C.H., Savchenko, A., Szyperski, T., Cort, J.R. (2014) Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO. PloS One 9:e1010787.
  157. Pulavarti, S.V., Eletsky, A., Huang, Y.J., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Szyperski, T. (2015) Polypeptide Backbone, Cb and Methyl Group Resonance Assignments of the 24 kDa Plectin Repeat Domain 6 from Human Protein Plectin. J. Biomol. NMR Assign. 9:135-138. PMID: 24722902
  158. Murphy, G.S., Sathyaoorthy, B., Der, B.S., Machius, M.C., Pulavarti, S.V., Szyperski, T., Kuhlman, B. (2015) Computational de novo Design of a Four-helix Bundle Protein-DND_4HB. Protein Sci. 24:434-445. PMID:25287625
  159. Everett, J., Tejero, R., Murthy, S.B., Acton, T.B., Aramini, J.M., Baran, M.C., Benach, J., Cort, J.R., Eletsky, A., Forouhar, F., Guan, R., Kuzin, A.P., Lee, H.W., Liu, G., Mani, R., Mao, B., Mills, J.L., Montelione, A.F., Pederson, K., Powers, R., Ramelot, T., Rossi, P., Seetharaman, J., Snyder, D., Swappna, G.V., Vorobiev, S.M., Wu, Y., Xiao, R., Yang. Y. Arrowsmith, C.H., Hunt, J., Kennedy, M.A., Prestegard, J.H., Szyperski, T., Tong, L., Montelione, G.T. (2016) A Community Resource of Experimental Data for NMR-X-ray Crystal Structure Pairs. Protein Sci.25:30-45. PMID 26293815
  160. Wu, X., Liu, R., Sathyamoorthy, B., Yamato, K., Liang, G., Shen, L., Ma, S., Sukumaran, D.K., Szyperski, T., Fang, W., He, L., Chen, X., Gong, B. (2015) Discrete Stacking of Aromatic Oligoamide Macrocycles. J. Am. Chem. Soc. 137:5879-5882. PMID:25909625
  161. Eletsky, A., Pulavarti, S.V., Beaumont, V., Gollnick, P., Szyperski, T. (2015) Solution NMR Experiment for Measurement of 15N-1H Residual Dipolar Couplings in Large Proteins and Supramolecular Complexes. J. Am. Chem. Soc. 137:11242-11245. PMID:26293598
  162. Turkoglu, O., Zeb, A., Graham, S., Szyperski, T., Szender, J. B., Odunsi, K., Szyperski, T., Bahado-Singh, R. (2016) Metabolomics of Biomarker discovery in Ovarian Cancer: a Systematic Review of the Current Literature. Metabolomics 12: 60.
  163. Connor, A. L., Hu, T., Detchou, C. S., Liu, R., Pulavarti, S. V., Szyperski, T., Lu, Z., Gong, B. (2016) Aromatic Oligoureas as Hosts for Anions and Cations. Chem. Commun. 52: 9905-9908. PMID: 27427283
  164. Jacobs, T. M., Williams, B., Williams, T., Xu, X., Eletsky, A., Federizon, J. F., Szyperski, T., Kuhlman, B. (2016) Design of Structurally Distinct Proteins Using Strategies Inspired by Evolution. Science 352: 687-690. PMID: 27151863
  165. Bhardwaj, G., Mulligan, V. K., Bahl, C. D., Gilmore, J. M., Harvey, P. J., Cheneval, O., Buchko, G. W., Pulavarti, S. V., Kaas, Q., Eletsky, A., Huang, P. S., Johnson, W. A., Greisen, P. J., Rocklin, G. J., Song, Y., Linsky, T. W., Watkins, A., Rettie, S. A., Xu, X., Carter, L. P., Bonneau, R., Olson, J. M., Coutsias, E., Correnti, C. E., Szyperski, T., Craik, D. J., Baker, D. (2016) Accurate de Novo Design of Hyperstable Constrained Peptides. Nature 538: 329-335. PMID:27626386
  166. Szyperski, T. (2017) Preview: Room Temperature X-Ray Crystallography Reveals Conformational Heterogeneity of Engineered Proteins. Structure 25: 691-692. PMID:28467914
  167. Zhang, M., Yu, X.W., Xu, Y., Jouhten, P., Swapna, G.V.T., Glaser, R.W., Hunt, J.F., Montelione, G.T., Maaheimo, H., Szyperski T. (2017) 13C Metabolic Flux Profiling of Pichia pastoris Grown in Aerobic Batch Cultures on Glucose Revealed High Relative Anabolic Use of TCA Cycle and Limited Incorporation of Provided Precursors of Branched-chain Amino Acids. FEBS J: 284: 3100-3113. PMID:28731268
  168. Nie, Y., Wang, S., Xu, Y, Luo, S., Zhao, Y., Xiao, R., Montelione, G.T., Hunt, J.F., Szyperski, T. (2018) Enzyme Engineering Based on X-ray Structures and Kinetic Profiling of Substrate Libraries: Alcohol Dehydrogenases for Stereospecific Synthesis of a Broad Range of Chiral Alcohols. ACS Catal.: 8, 5145-5152.
  169. Buchko, G.W., Pulavarti, S.V.S.R.K., Ovchinnikov, V., Shaw, E.A., Rettie, S.A., Myler, P.J., Karplus, M., Szyperski, T., Baker, D., Bahl, C.D. (2018) Cytosolic Expression, Solution Structures, and Molecular Dynamics Simulation of Genetically Encodable Disulfide-rich De Novo Designed Peptides. Protein Sci.: 27: 1611-1623. PMID: 3015254
  170. Rosarion-Cruz, Z., Eletsky, A., Daigham, N.S., Al-Tameemi, H., Swapna, G.V.T., Kahn, P.C., Szyperski, T., Montelione, G.T., Boyd, J.M. (2019) The copBL Operon Protects Staphylococcus aureus from copper toxicity: CopL is an Extracellular Membrane-associated Copper-binding Protein. J. Biol. Chem. 294: 4027-4044.
  171. Zhang Y, Zhong Y, Connor A.L., Miller D.P., Cao R., Shen J., Song B., Baker E.S., Tang Q., Pulavarti S.V.S.R.K., Liu R., Wang Q., Lu Z.L., Szyperski T., Zeng H., Li X., Smith R.D., Zurek E., Zhu J., Gong B. (2019) Folding and Assembly of Short a, b, g-Hybrid Peptides: Minor Variations in Sequence and Drastic Differences in Higher-Level Structures. J. Am. Chem. Soc. 141:14239-14248. PMID:31381
  172. Zhang M., Yu X.W., Xu Y., Guo R.T., Swapna G.V.T., Szyperski T., Hunt J.F., Montelione G.T. (2019) Structural Basis by Which the N-Terminal Polypeptide Segment of Rhizopus chinensis Lipase Regulates Its Substrate Binding Affinity. Biochemistry 58: 3943-3954. PMID: 31436959
  173. Alvarado C., Stahl E., Koessel K., Rivera A., Cherry B.R., Pulavarti S.V.S.R.K., Szyperski T., Cance W., Marlowe T. (2019) Development of a Fragment-based Screening Assay for the Focal Adhesion Targeting Domain Using SPR and NMR. Molecules 24: E3352. PMID:31540099
  174. Wang, X., Jing, X., Deng, Y, Nie, Y., Xu, F., Xu, Y., Zhao, Y.L., Hunt, J.F., Montelione, G.T., Szyperski, T. (2020) Evolutionary Coupling Saturation Mutagenesis: Coevolution-guided Identification of Distant Sites Influencing Bacillus Naganoensis Pullulanase Activity. FEBS Lett. 594: 799-812. PMID:31665817
  175. Arthanari, H., Chary, K.V.R., Szyperski, T., Ramanathan, K.V., Hosur, R.V., Suryaprakash, N., Raghothama, S., Jagannathan, N.R., Norton, R.S., Prabhakaran, E.N., Kondaish, P., Mukherjee, S.P. Adiga, S.K., Adiga, S.K., Vadrrevu, R., Bhunia, A., Joseph, D. (2021) Hanudatta S. Atreya (1974-2020) Magn. Reson. Chem. 59:201-212. PMID:33565121
  176. Maguire, J.B., Haddox, H.K., Strickland, D., Halabiya, S.F., Coventry, B., Griffin, J.R., Pulavarti, S.V.S.R.K., Cummins, M., Thieker, D.F., Klavins, E., Szyperski, T., DiMaio, F., Baker, D., Kuhlman, B. (2021) Perturbing the Energy Landscape for Improved Packing During Computational Protein Design. Proteins 89:436-449. PMID:33249652
  177. Pulavarti S.V.S.R.K, Maguire, J.B., Yuen, S., Harrison, J.S., Griffin, J., Premkumar, L., Esposito, E.A., Makhatadze, G.I., Garcia, A.E., Weiss, T.M., Snell, E.H., Kuhlman B., Szyperski T. (2022) From Protein Design to the Energy Landscape of a Cold Unfolding Protein. J Phys Chem B 126:1212-1231. PMID: 35128921
  178. Li, Y., Zhang, R., Wang, C., Forouhar, F., Clarke, O., Vorobiev, S., Singh, S., Montelione, G.T., Szyperski, T., Xu, Y., Hunt, J.F. (2022) Oligomeric Interactions Maintain Active-site Structure in a Non-cooperative Enzyme Family. EMBO J. 41:e108368. PMID: 358011308.
  179. Szyperski, T. (2022) Teaching NMR Based on the Postulates of Quantum Mechanics Makes This EASY and Relates Theory and Experiment to the Measurement Problem: The NMR Product Operator Rules. J Phys Chem A 126:8369-8371. PMID: 36801308
  180. Guffy, S.L., Pulavarti S.V.S.R.K, Harrison, J., Fleming, D., Szyperski, T., Kuhlman, B. (2022) Inside-out Design of Zinc Binding Proteins with Non-native Backbones. Biochemistry, in press.