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Padua RA*, Sun Y*, Marko I, Pitsawong W, Stiller JB, Otten R, Kern D Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2 Nature Communications (2018) 9, 4507

Pitsawong W*, Buosi V*, Otten R*, Agafonov RV*, Zorba A, Kern N, Kutter S, Kern G, Padua RA, Meniche X, Kern D Dynamics of human protein kinase Aurora A linked to drug selectivity. eLIFE (2018) 7, e36656

Otten R*, Liu L*, Kenner LR, Clarkson MW, Mavor D, Tawfik DS, Kern D, Fraser JS Rescue of conformational dynamics in enzyme catalysis by directed evolution. Nature Communications 2018) 9, 1314

Vy Nguyen*, Christopher Wilson*, Marc Hoemberger, John B. Stiller, Roman Agafonov, Steffen Kutter, Justin English, Douglas Theobald, Dorothee Kern Evolutionary drivers of thermoadaptation in enzyme catalysis. Science (2017) 355(6322):289-294

Kutter S, Eichner T, Deaconescu AM, Kern D. Regulation of Microtubule Assembly by Tau and not by Pin1. J Mol Biol. (2016) May 8;428(9 Pt A):1742-59. doi: 10.1016/j.jmb.2016.03.010. Epub 2016 Mar 18.

Eichner T, Kutter S, Labeikovsky W, Buosi V, Kern D. Molecular Mechanism of Pin1-Tau Recognition and Catalysis. J Mol Biol. (2016) May 8;428:1760-75. doi: 10.1016/j.jmb.2016.03.009. Epub 2016 Mar 17.

Chakrabarti KS, Agafonov RV, Pontiggia F, Otten R, Higgins MK, Schertler GF, Oprian DD, Kern D. Conformational Selection in a Protein-Protein Interaction Revealed by Dynamic Pathway Analysis. Cell Reports. (2016) Jan 5;14(1):32-42. doi: 10.1016/j.celrep.2015.12.010. Epub 2015 Dec 24. PMID: 26725117.

Agafonov R.V., Wilson C, Kern D. Evolution and intelligent design in drug development. Frontiers in Molecular Biosciences (2015) 2:27

F. Pontiggia, D.V.Pachov, M.W.Clarkson, J. Villali, M.F.Hagan, V.S.Pande and D.Kern. Free energy landscape of activation in a signaling protein at atomic resolution. Nature Commun (2015) 6:7284.

Wilson C, Agafonov RV, Hoemberger M, Kutter S, Zorba A, Halpin J, Buosi V, Otten R, Waterman D, Theobald DL, Kern D. Using ancient protein kinases to unravel a modern cancer drug's mechanism. Science (2015) 347(6224):882-886

Kerns SJ, Agafonov R.V., Cho YJ, Pontiggia F, Otten R, Pachov DV, Kutter S, Phung LA, Murphy PN, Thai V, Alber T, Hagan MF, Kern D. The energy landscape of adenylate kinase during catalysis. Nature Structural & Molecular Biology (2015) 22(2):124-31

Hass MA, Liu WM, Agafonov R.V., Otten R, Phung LA, Schilder JT, Kern D, Ubbink M. A minor conformation of a lanthanide tag on adenylate kinase characterized by paramagnetic relaxation dispersion NMR spectroscopy. J Biomol NMR (2015) 61(2):123-36

Agafonov R.V., Wilson C, Otten R, Buosi V, Kern D. Energetic dissection of Gleevec's selectivity toward human tyrosine kinases. Nature Structural & Molecular Biology (2014) 21(10):848-53

Zorba A, Buosi V, Kutter S, Kern N, Pontiggia F, Cho YJ, Kern D. Molecular mechanism of Aurora A kinase autophosphorylation and its allosteric activation by TPX2. eLife (2014) 3: e02667.

Villali J, Pontiggia F, Clarkson MW, Hagan MF, Kern D Evidence against the "Y-T coupling" mechanism of activation in the response regulator NtrC. J Mol Biol (2014) 426(7):1554-67

Ranaghan MJ, Kumar RP, Chakrabarti KS, Buosi V, Kern D, Oprian DD. A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin. J Biol Chem (2013) 288(50):36160-7. doi: 10.1074/jbc.M113.524355

Park, J.M; Hu, J.H.; Milshteyn, A.; Zhang, P.-W.; Moore, C.G. ; Park, S.; Datko, M.C.; Doming, R.D.; Reye, C.M.; Wang, X.J.; Etzkorn, F.A.; Xiao, B.; Szumlinski, K.K.; Kern, D.; Linden, D.J.; Worley, P.F. A Prolyl-isomerase Mediates Dopamine-dependent Plasticity and Cocaine Motor Sensitization. Cell (2013) 154(3):637-50

Morrison EA, DeKoster GT, Dutta S, Vafabakhsh R, Clarkson MW, Bahl A, Kern D, Ha T, Henzler-Wildman KA. Antiparallel EmrE exports drugs by exchanging between asymmetric structures. Nature (2011) 481: 45-50

Renee Otten, Janice Villali, Dorothee Kern, and Frans A. A. Mulder. Probing Microsecond Time Scale Dynamics in Proteins by Methyl 1H Carr−Purcell−Meiboom−Gill Relaxation Dispersion NMR Measurements. Application to Activation of the Signaling Protein NtrCr. J. Am. Chem. Soc., In Press, Nov 2010.

Janice Villali and Dorothee Kern. Choreographing an enzyme's dance. Curr Opin Chem Biol, 14(5):636-643, Oct 2010.

Alexandra K Gardino, Janice Villali, Aleksandr Kivenson, Ming Lei, Ce Feng Liu, Phillip Steindel, Elan Z Eisenmesser, Wladimir Labeikovsky, Magnus Wolf-Watz, Michael W Clarkson, and Dorothee Kern. Transient non-native hydrogen bonds promote activation of a signaling protein. Cell, 139(6):1109–1118, Dec 2009.

James S Fraser, Michael W Clarkson, Sheena C Degnan, Renske Erion, Dorothee Kern, and Tom Alber. Hidden alternative structures of proline isomerase essential for catalysis. Nature, 462(7273):669–673, Dec 2009.

Michael W Clarkson, Ming Lei, Elan Z Eisenmesser, Wladimir Labeikovsky, Alfred Redfield, and Dorothee Kern. Mesodynamics in the sars nucleocapsid measured by nmr field cycling. J Biomol NMR, 45(1-2):217–225, Sep 2009.

Ming Lei, Janice Velos, Alexandra Gardino, Alexsandr Kivenson, Martin Karplus, and Dorothee Kern. Segmented transition pathway of the signaling protein nitrogen regulatory protein c. J Mol Biol, 392(3):823–836, Sep 2009.

Sangwoo Shim, Joseph P Yuan, Ju Young Kim, Weizhong Zeng, Guo Huang, Aleksandr Milshteyn, Dorothee Kern, Shmuel Muallem, Guo li Ming, and Paul F Worley. Peptidyl-prolyl isomerase fkbp52 controls chemotropic guidance of neuronal growth cones via regulation of trpc1 channel opening. Neuron, 64(4):471–483, Nov 2009.

Vu Thai, Patricia Renesto, C. Andrew Fowler, Darin J Brown, Tara Davis, Wanjun Gu, David D Pollock, Dorothee Kern, Didier Raoult, and Elan Z Eisenmesser. Structural, biochemical, and in vivo characterization of the first virally encoded cyclophilin from the mimivirus. J Mol Biol, 378(1):71–86, Apr 2008.

Alexandra K Gardino and Dorothee Kern. Functional dynamics of response regulators using nmr relaxation techniques. Methods Enzymol, 423:149–165, 2007.

Katherine Henzler-Wildman and Dorothee Kern. Dynamic personalities of proteins. Nature, 450(7172):964–972, Dec 2007.

Katherine A Henzler-Wildman, Ming Lei, Vu Thai, S. Jordan Kerns, Martin Karplus, and Dorothee Kern. A hierarchy of timescales in protein dynamics is linked to enzyme catalysis. Nature, 450(7171):913–916, Dec 2007.

Katherine A Henzler-Wildman, Vu Thai, Ming Lei, Maria Ott, Magnus Wolf-Watz, Tim Fenn, Ed Pozharski, Mark A Wilson, Gregory A Petsko, Martin Karplus, Christian G Hbner, and Dorothee Kern. Intrinsic motions along an enzymatic reaction trajectory. Nature, 450(7171):838–844, Dec 2007.

Wladimir Labeikovsky, Elan Z Eisenmesser, Daryl A Bosco, and Dorothee Kern. Structure and dynamics of pin1 during catalysis by nmr. J Mol Biol, 367(5):1370–1381, Apr 2007.

Elan Z Eisenmesser, Oscar Millet, Wladimir Labeikovsky, Dmitry M Korzhnev, Magnus Wolf-Watz, Daryl A Bosco, Jac J Skalicky, Lews E Kay, and Dorothee Kern. Intrinsic dynamics of an enzyme underlies catalysis. Nature, 438(7064):117–121, Nov 2005.

Dorothee Kern, Elan Z Eisenmesser, and Magnus Wolf-Watz. Enzyme dynamics during catalysis measured by nmr spectroscopy. Methods Enzymol, 394:507–524, 2005.

KaiTittmann, Holger Neef, Ralph Golbik, Gerhard Hbner, and Dorothee Kern. Kinetic control of thiamin diphosphate activation in enzymes studied by proton-nitrogen correlated nmr spectroscopy. Biochemistry, 44(24):8697–8700, Jun 2005.

David E Wemmer and Dorothee Kern. Beryllofluoride binding mimics phosphorylation of aspartate in response regulators. J Bacteriol, 187(24):8229–8230, Dec 2005.

Daryl A Bosco and Dorothee Kern. Catalysis and binding of cyclophilin a with different hiv-1 capsid constructs. Biochemistry, 43(20):6110–6119, May 2004.

Magnus Wolf-Watz, Vu Thai, Katherine Henzler-Wildman, Georgia Hadjipavlou, Elan Z Eisenmesser, and Dorothee Kern. Linkage between dynamics and catalysis in a thermophilic-mesophilic enzyme pair. Nat Struct Mol Biol, 11(10):945–949, Oct 2004.

Alexandra K Gardino, Brian F Volkman, Ho S Cho, Seok-Yong Lee, David E Wemmer, and Dorothee Kern. The nmr solution structure of bef(3)(-)-activated spo0f reveals the conformational switch in a phosphorelay system. J Mol Biol, 331(1):245–254, Aug 2003.

Dorothee Kern and Erik R P Zuiderweg. The role of dynamics in allosteric regulation. Curr Opin Struct Biol, 13(6):748–757, Dec 2003.

Daryl A Bosco, Elan Z Eisenmesser, Susan Pochapsky, Wesley I Sundquist, and Dorothee Kern. Catalysis of cis/trans isomerization in native hiv-1 capsid by human cyclophilin a. Proc Natl Acad Sci U S A, 99(8):5247–5252, Apr 2002.

Elan Zohar Eisenmesser, Daryl A Bosco, Mikael Akke, and Dorothee Kern. Enzyme dynamics during catalysis. Science, 295(5559):1520–1523, Feb 2002.

Dorothee Kern. Cutting the leash. Nat Struct Biol, 9(7):496–497, Jul 2002.

Gunther Kern, Jeff Pelton, Susan Marqusee, and Dorothee Kern. Structural properties of the histidine-containing loop in hiv-1 rnase h. Biophys Chem, 96(2-3):285–291, May 2002.

Brian F. Volkman, Doron Lipson, David E. Wemmer and Dorothee Kern Two-State Allosteric Behavior in a Single-Domain Signaling Protein. Science, 291:2429-2433, Mar 2001.

Dorothee Kern, Brian F. Volkman, Peter Luginbüh, Michael J. Nohail, Sydney Kust and David E. Wemme Structure of a transiently phosphorylated "switch" in bacterial signal transduction. Nature, 402:894-898, Dec 1999.

Dorothee Kern, Gunther Kern, Holger Neef, Kai Tittmann, Margrit Killenberg-Jabs, Christer Wikner, Gunter Schneider and Gerhard Hüber How thiamin diphosphate is activated in enzymes. Science, 275:67-70, Jan 1997.