70. Payliss, B.*, and Mittermaier, A.* (2020) Determination of pKa Values in Intrinsically Disordered Proteins. Methods in Molecular Biology (Intrinsically Disordered Proteins : Methods and Protocols) 2141:319-336

69. Prinzen AL, Saliba D, Hennecker C, Trinh T, Mittermaier A, Sleiman HF.* (2020) Amplified Self-Immolative Release of Small Molecules by Spatial Isolation of Reactive Groups on DNA-Minimal Architectures. Angewandte Chemie Intl. Ed. Engl. 59(31):12900-12908

68. Vahidi S, Ripstein ZA, Juravsky JB, Rennella E, Goldberg AL, Mittermaier AK, Rubinstein JL, Kay LE.* (2020) An Allosteric Switch Regulates Mycobacterium tuberculosis ClpP1P2 Protease Function as Established by cryo-EM and methyl-TROSY NMR. Proceedings of the National Academy of Sciences USA 117(11):5895-5906

67. Grün, J.T. Hennecker, C., Klötzner, D.P., Harkness, R.W., Bessi, I., Heckel, A., Mittermaier, A.K.,* Schwalbe, H.* (2020) Conformational Dynamics of Strand Register Shifts in DNA G-Quadruplexes Journal of the Americal Chemical Society. 142: 264-273

66. Plescia, J., Dufresne, C., Janmamode, N., Wahba, A.S., Mittermaier, A.K., Moitessier, N.* Discovery of covalent prolyl oligopeptidase boronic ester inhibitors (2020) European Journal of Medicinal Chemistry. DOI: 10.1016/j.ejmech.2019.111783

65. Wang, Y., Guan, J.M., Di Trani, J.M., Auclair, K., Mittermaier, A.K.* (2019) Inhibition and Activation of Kinases by Reaction Products: A Reporter-Free Assay Analytical Chemistry. 91 11803-11811

64. Plescia, J., De Cesco, S., Patrascu, M.B., Kurian, J., Di Trani, J., Dufresne, C., Wahba, A.S., Janmamode, N., Mittermaier, A.K., Moitessier, N.* (2019) Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein alpha Journal of Medicinal Chemistry. 62: 7874-7884

63. Antunes, V.U., Llontop, E.E., Vasconcelos, F.N.D., de los Santos, Y.L., Oliveira, R.J., Lincopan, N., Farah, C.S.,Doucet, N., Mittermaier, A., Favaro, D.C.* (2019) Importance of the beta 5-beta 6 Loop for the Structure, Catalytic Efficiency, and Stability of Carbapenem-Hydrolyzing Class D beta-Lactamase Subfamily OXA-143 Biochemistry. 58: 3604-3616

62. Payliss, B., Vogel, J., and Mittermaier, A.* (2019) Side chain electrostatic interactions and pH-dependent expansion of the intrinsically disordered, highly acidic carboxyl-terminus of γ-tubulin. Protein Science. 28: 1095-1105

61. Di Trani, J., De Cesco, S., O'Leary, R., Plescia, J., Nascimento, C., Moitessier, N., and Mittermaier, A.* (2018) Rapid Measurement of Inhibitor Binding Kinetics by Isothermal Titration Calorimetry. Nature Communications. 9: 893.

60. Harkness, R.W., Avakyan, N., Sleiman, H.F., and Mittermaier A.* (2018) Mapping the energy landscapes of supramolecular assembly by thermal hysteresis. Nature Communications. 9: 3152.

59. Di Trani, J.M., Moitessier, N., and Mittermaier, A.K.* (2018) Complete Kinetic Characterization of Enzyme Inhibition in a Single Isothermal Titration Calorimetric Experiment. Analytical Chemistry. 90: 8430-8435.

58. El Turk, F., De Genst, E., Guilliams, T., Fauvet, B., Hejjaoui, M., Di Trani, J., Chiki, A., and Mittermaier, A. Vendruscolo M Lashuel HA Dobson CM*. (2018) Exploring the role of post-translational modifications in regulating α-synuclein interactions by studying the effects of phosphorylation on nanobody binding. Protein Science. 27: 1262-1274.

57. Harris, J., Shadrina, M., Oliver, C., Vogel, J.*, and Mittermaier, A.* (2018) Concerted millisecond timescale dynamics in the intrinsically disordered carboxyl terminus of -tubulin induced by mutation of a conserved tyrosine residue. Protein Science. 27(2): 531-545.

56. Garci, A., Castor, K.J., Fakhoury, J., Do, J.L., Di Trani, J., Chidchob, P., Stein, R.S., Mittermaier, A.K., Friscic, T., and Sleiman, H.* (2018) Efficient and Rapid Mechanochemical Assembly of Platinum(II) Squares for Guanine Quadruplex Targeting. Journal of the American Chemical Society. 139 (46): 16913-16922.

55. Harkness, R.W., Johnson, P.E., and Mittermaier, A.K.* (2017) Measuring Biomolecular DSC Profiles with Thermolabile Ligands to Rapidly Characterize Folding and Binding Interactions. JOVE-Journal of Visualized Experiments. 129: na.

54. De Cesco, S., Kurian, J., Dufresne, C., Mittermaier, A.K., and Moitessier, N.* (2017) Covalent inhibitors design and discovery. Eur J Med Chem. 138: 96-114.

53. Harkness, R.W., and Mittermaier, A.K.* (2017) G-quadruplex dynamics. Biochim Biophys Acta. 1865: 1544-1554.

52. Di Trani, J.M., Moitessier, N., and Mittermaier, A.K.* (2017) Measuring Rapid Time-Scale Reaction Kinetics Using Isothermal Titration Calorimetry. Anal Chem. 89(13): 7022-7030.

51. Assi, H.A., Harkness, R.W., Martin-Pintado, N., Wilds, C.J., Campos-Olivas, R., Mittermaier, A.K., González, C., and Damha, M.J.* (2016) Stabilization of i-motif structures by 2'β--fluorination of DNA. Nucleic Acids Res. 44(11): 4998-5009.

50. El-Turk, F., Newby, F.N., De Genst, E., Guilliams, T., Sprules, T., Mittermaier, A., Dobson, C.M., and Vendruscolo, M.* (2016) Structural Effects of Two Camelid Nanobodies Directed to Distinct C-Terminal Epitopes onα-Synuclein. Biochemistry. 55(22): 3116-3122.

49. Harkness, R.W., and Mittermaier, A.* (2016) G-register exchange dynamics in guanine quadruplexes. Nucleic Acids Research. 44(8): 3481-3494.

48. Harkness, R.W., Slavkovic, S., Johnson, P.E., and Mittermaier, A.K.* (2016) Rapid characterization of folding and binding interactions with thermolabile ligandsby DSC. Chem Commun. 52(92): 13471-13474.

47. Chong, P.A., Farber, P.J., Vernon, R.M., Hudson, R.P., Mittermaier, A.K., and Forman-Kay J.D.* (2015) Deletion of Phenylalanine-508 in the First Nucleotide Binding Domain of the Cystic Fibrosis Transmembrane Conductance Regulator Increases Conformational Exchange and Inhibits Dimerization. Journal of Biological Chemistry. 290: 22862-22878.

46. Mariaule, G., De Cesco, S., Airaghi, F., Kurian, J., Schiavini, P., Rocheleau, S., Huskíc, I., Auclair, K., Mittermaier, A., and Moitessier, N.* (2015) 3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors. Journal of Medicinal Chemistry. 59(9): 4221-4234.

45. Miletti, T., Levros, L.C., Di Trani, J., Mittermaier, A.* (2015) Conformational Plasticity Surrounding the Active Site of NADH Oxidase from Thermus thermophilus. Protein Science 24: 1114-1128

44. Farber, P.J., Mittermaier, A.* (2015) Relaxation Dispersion NMR spectroscopy for the study of protein allostery. Biophysical Reviews 7:191-200

43. Mittermaier, A.* (2015) An enzyme cofactor with a split personalilty Nature Structural and Molecular Biology 22:101-103

42. Freiburger, L., Auclair, K., and Mittermaier, A.* (2015) Global ITC fitting methods in studies of protein allostery Methods 76:149-161

41. Freiburger, L., Miletti, T., Zhu, S., Baettig, O., Berghuis, A., Auclair, K., Mittermaier, A.* (2014) Substrate-dependent switching of the allosteric binding mechanism of a dimeric enzyme Nature Chemical Biology 10:937-942

40. Meneses, E., Mittermaier, A. * (2014) Electrostatic interactions in the binding pathway of a transient protein complex studied by NMR and isothermal titration calorimetry Journal of Biological Chemistry 289:27911-27923

39. Castor, K., Liu, Z., Fakhoury, J., Hancock, M., Mittermaier, A., Autexier, C., Moitessier, N., Sleiman, H. * (2013) A platinum(II) phenylphenanthroimidazole with an extended side-chain exhibits slow dissociation from a c-kit G-quadruplex motif. Chemistry - A European Journal 19:17836-17845

38. Mittermaier, A.* (2013) ZZ-Exchange. In Encyclopedia of Biophysics, Roberts, G. editor. Springer-Verlag, Berlin, Germany.

37. Mittermaier, A.* and Meneses, E. (2013) Analyzing Protein-Ligand Interactions by Dynamic NMR Spectroscopy. In Methods in Molecular Biology/Springer Protocols, Williams, M. and Daviter, T., editors. Humana Press, New York, USA. 1008:243-266

36. Farber, P.J., Slager, J., Mittermaier, A.* (2012) Local Folding and Misfolding in the PBX Homeodomain from a Three-State Analysis of CPMG Relaxation Dispersion NMR Data. Journal of Physical Chemistry B 116:10317-10329

35. De Cesco, S., Deslandes, S., Therrien, E., Levan, D., Cueto, M., Schmidt, R., Cantin, L.D., Mittermaier, A., Juillerat-Jeanneret, L., Moitessier, N.* (2012) Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells. Journal of Medicinal Chemistry 55:6306-6315

34. Castor, K., Kieltyka, R., Englebienne, P., Weill, N., Fakhoury, J., Mancini, J., Avakyan, N., Mittermaier, A., Autexier, C., Moitessier, N., Sleiman, H.F. (2012) Platinum(II) phenanthroimidazoles for targeting telomeric G-quadruplexes. ChemMedChem 7: 85–94

33. Freiburger, L., Auclair, K., and Mittermaier, A.* (2012) Van ’t Hoff global analyses of variable temperature isothermal titration calorimetry data. Acta Thermochimica 527: 148–157

32. Miletti, T., Farber, P.J., Mittermaier A.* (2011) Active site dynamics in NADH oxidase from Thermus thermophilus studied by NMR spin relaxation. Journal of Biomolecular NMR 51: 71–8231.

31. Freiburger, L., Mittermaier, A.*, and Auclair, K.* (2011) Collecting variable-concentration Isothermal Titration Calorimetry datasets in order to determine binding mechanisms. Journal of Visualized Experiments 50: DOI: 10.3791/2529

30. Farber, P.J., and Mittermaier, A.* (2011) Concerted dynamics link allosteric sites in the PBX homeodomain. Journal of Molecular Biology 405:819–830

29. Freiburger, L., Baettig, O.M., Berghuis, A.M., Sprules, T., Auclair, K., and Mittermaier, A.* (2011) Competing allosteric mechanisms modulate substrate binding in a dimeric enzyme. Nature Structural and Molecular Biology 18:288–294

28. Denisov, A., Kloser, E., Gray, D., and Mittermaier, A.* (2010) Protein alignment using cellulose nanocrystals: Practical considerations and range of application. Journal of Biomolecular NMR 47:195-204

27. Farber P.J., Darmawan, H., Sprules, T., and Mittermaier, A.* (2010) Analyzing protein folding cooperativity using NMR and DSC. Journal of the American Chemical Society 132:6214-22

26. Mittermaier, A.* and Farber, P.J. (2010) NMR and Calorimetry of Biological Systems. In Advances in BioNMR Spectroscopy, Pascal, S. and Dingely, A., editors. IOS Press, Amsterdam, Netherlands.

25. Freiburger L.A., Auclair K, and Mittermaier A.K.* (2009) Elucidating protein binding mechanisms by variable-c ITC. ChemBioChem 10: 2871-2873.

24. Mittermaier, A.* and Kay, L.E. (2009) Observing biological dynamics at atomic resolution using NMR. Trends in Biochemical Sciences 34: 601-611.

23. Demers, J.P. and Mittermaier, A.* (2009) Binding mechanism of an SH3 domain studied by NMR and ITC. Journal of the American Chemical Society 131: 4355-4367.

22. Farber, P.J., and Mittermaier, A.* (2008) Side chain burial and hydrophobic core packing in protein folding transition states. Protein Science 17:644-51.

21. Mittermaier, A.*, and Kay, L., E.* (2006) New tools provide new insights in NMR studies of protein dynamics. Science 312:224-228.

20. Zarrine-Afsar, A., Mittermaier, A., Kay, L.E., and Davidson, A.R.* (2005) Protein Stabilization by Specific Binding of Guanidinium to a Functional Arginine-Binding Surface on an SH3 Domain. Protein Science 15:162-170.

19. Mittermaier, A., Korzhnev, D.M., and Kay, L.E.* (2005) Side-chain interactions in the folding pathway of a Fyn SH3 domain mutant studied by relaxation dispersion NMR spectroscopy. Biochemistry 44: 15430-15436.

18. Korzhnev, D.M., Neudecker, P., Mittermaier, A., Orekhov, V.Y., and Kay, L.E.* (2005) Multiple-site exchange in proteins studied with a suite of six NMR relaxation dispersion experiments: An application to the folding of a Fyn SH3 domain mutant. Journal of the American Chemical Society 127: 15602-15611.

17. Korzhnev, D.M., Mittermaier, A., Kay, L.E.* (2005) Cross-correlated spin relaxation effects in methyl 1H CPMG-based relaxation dispersion experiments: Complications and simple solution. Journal of Biomolecular NMR 4: 337-342.

16. Finerty, P.J. Jr., Mittermaier A., Muhandiram, R., Kay, L.E., Forman-Kay, J.D.* (2005) NMR dynamics-derived insights into the binding properties of a peptide interacting with an SH2 domain. Biochemistry 44: 694-703.

15. Mittermaier, A., and Kay, L.E.* (2004) The response of internal dynamics to hydrophobic core mutations in the SH3 domain from the Fyn tyrosine kinase. Protein Science 13: 1088-1099.

14. Mittermaier, A., Davidson, A., R., and Kay, L., E.* (2003) Correlation between 2H NMR side-chain order parameters and sequence conservation in globular proteins. Journal of the American Chemical Society 125: 9004-9005.

13. Millet, O., Mittermaier, A., Baker, D., and Kay, L.E.* (2003) The effects of mutations on motions of side-chains in Protein L Studied by 2H NMR dynamics and scalar couplings. Journal of Molecular Biology 329: 551-563.

12. Mittermaier, A., and Kay, L.E.* (2002) Effect of deuteration on some structural parameters of methyl groups in proteins as evaluated by residual dipolar couplings. Journal of Biomolecular NMR. 23: 35-45.

11. Mulder, F.A.A., Hon, B., Mittermaier, A., Dahlquist, F.W., and Kay, L.E.* (2002) Slow internal dynamics in proteins: application of NMR dispersion spectroscopy to methyl groups in a cavity mutant of T4 lysozyme. Journal of the American Chemical Society. 124(7): 1443-1451.

10. Davidson, A.R.,* Maxwell, K.L., Mittermaier, A.K., and Forman-Kay, J.D. (2002) Methods for in vivo selection of soluble protein domains. In Gene Cloning and Expression Technologies, Weiner, M.P. and Lu, Q., editors. Eaton Publishing, Westborough, MA.

9. Mulder, F.A.A., Mittermaier, A., Hon, B., Dahlquist, F.W., and Kay, L.E.* (2001) Studying excited states of proteins by NMR spectroscopy. Nature Structural Biology. 8(11): 932-935.

8. Evenäs, J., Mittermaier, A., Yang, D., and Kay, L.E.* (2001) Measurement of 13Cα-13Cβ dipolar couplings in 15N, 13C, 2H-labeled proteins: application to domain orientation in maltose binding protein. Journal of the American Chemical Society. 123(12): 2858-2864.

7. Mittermaier, A., and Kay, L.E.* (2001) χ1 torsion angle dynamics in proteins from dipolar couplings. Journal of the American Chemical Society. 123(28): 6892-6903.

6. Mittermaier, A., and Kay, L.E.* (1999) Measurement of methyl 2H quadrupolar couplings in oriented proteins. How uniform is the quadrupolar coupling constant? Journal of the American Chemical Society. 121(45): 10608-10613.

5. Mittermaier, A., Kay, L.E., and Forman-Kay, J.D.* (1999) Analysis of deuterium relaxation-derived methyl axis order parameters and correlation with local structure. Journal of Biomolecular NMR. 13: 181-185.

4. Mittermaier, A., Varani, L., Muhandiram, D.R., Kay, L.E. and Varani, G.* (1999) Changes in side chain and backbone dynamics identify determinants of specificity in RNA recognition by human U1A protein. Journal of Molecular Biology. 294: 967-979.

3. Maxwell, K. L., Mittermaier, A., Forman-Kay, J. D., and Davidson, A. R.* (1999) A simple in vivo assay for increased protein solubility. Protein Science. 8: 1908-1911.

2. Yang, D., Mittermaier, A., Mok, Y.K., and Kay, L.E.* (1998) A study of protein side chain dynamics from new 2H auto-correlation and 13C cross-correlation NMR experiments: application to the N-terminal SH3 domain from drk. Journal of Molecular Biology. 276: 939-954.

1. Olive, J. E., De Abreu, D. M., Rastogi, T., Andersen, A., Mittermaier, A., Beattie, T., and Collins, R.A.* (1995) Enhancement of Neurospora VS ribozyme cleavage by tuberactinomycin antibiotics. The EMBO Journal. 14: 3247-3251.

The Mittermaier lab

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