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Entry ID	Data summary	Entry Title	Citation Title	Authors
51233	Chemical Shifts: 1 set	Geobacillus stearothermophilus Adenylate Kinase with Cobalt	Structure determination of high-energy states in a dynamic protein ensemble	Daniel Haussinger, Dorothee Kern, Douglas L Theobald, John B Stiller, Pascal S Rieder, Renee Otten
51232	Chemical Shifts: 1 set	Geobacillus stearothermophilus Adenylate Kinase with Zinc	Structure determination of high-energy states in a dynamic protein ensemble	Daniel Haussinger, Dorothee Kern, Douglas L Theobald, John B Stiller, Pascal S Rieder, Renee Otten
50471	Chemical Shifts: 1 set	Backbone 1H, 15N, and 13C Chemical Shift Assignments for the Apo-State of Kemp Eliminase HG3.17	How directed evolution reshapes energy landscapes to boost catalysis	Aina E Cohen, Donald Hilvert, Dorothee Kern, H Adrian Bunzel, MacKenzie Patterson, Renee Otten, Ricardo AP Padua, Sarah L Perry, Shuo Sui, Vy Nguyen, Warintra Pitsawong
27520	Chemical Shifts: 1 set Spectral_peak_list: 4 sets	Backbone 1H, 13C, and 15N Chemical Shift Assignments for SHP2 (1-529)	Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2	Dorothee Kern, Ingrid Marko, John B Stiller, Renee Otten, Ricardo AP Padua, Warintra Pitsawong, Yizhi Sun
27522	Chemical Shifts: 1 set Spectral_peak_list: 3 sets	Backbone 1H, 13C, and 15N Chemical Shift Assignments for the tandem-SH2 domain of SHP2 (1-217) with a point mutation E76K	Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2	Dorothee Kern, Ingrid Marko, John B Stiller, Renee Otten, Ricardo AP Padua, Warintra Pitsawong, Yizhi Sun
27521	Chemical Shifts: 1 set Spectral_peak_list: 4 sets	Backbone 1H, 13C, and 15N Chemical Shift Assignments for the phosphatase domain of SHP2 (216-529)	Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2	Dorothee Kern, Ingrid Marko, John B Stiller, Renee Otten, Ricardo AP Padua, Warintra Pitsawong, Yizhi Sun
27218	Chemical Shifts: 2 sets	Backbone Chemical Shift Assignments for the S99T/C115S/I97V Mutant of Human Cyclophilin A	Rescue of Conformational Dynamics in Enzyme Catalysis by Directed Evolution	Dan S Tawfik, David Mavor, Dorothee Kern, James S Fraser, Lillian R Kenner, Lin Liu, Michael W Clarkson, Renee Otten
27217	Chemical Shifts: 2 sets	Backbone Chemical Shift Assignments for the S99T/C115S Mutant of Human Cyclophilin A	Rescue of Conformational Dynamics in Enzyme Catalysis by Directed Evolution	Dan S Tawfik, David Mavor, Dorothee Kern, James S Fraser, Lillian R Kenner, Lin Liu, Michael W Clarkson, Renee Otten
25125	Chemical Shifts: 1 set	Solution Structure and Chemical Shift Assignments for the Apo form of the Receiver Domain of Nitrogen Regulatory Protein C ( NTRC ) at 35C	Free energy landscape of activation in a signalling protein at atomic resolution	Dimitar V Pachov, Dorothee Kern, Francesco Pontiggia, Janice Villali, Michael F Hagan, Michael W Clarkson, Vijay V Pande
25124	Chemical Shifts: 1 set	Solution Structure and Chemical Shift Assignments for BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C ( NtrC ) at 35C	Free energy landscape of activation in a signalling protein at atomic resolution	Dimitar V Pachov, Dorothee Kern, Francesco Pontiggia, Janice Villali, Michael F Hagan, Michael W Clarkson, Vijay V Pande
19092	Chemical Shifts: 1 set	Backbone 1H, 15N Chemical Shift Assignments for R156K mutant Escherichia coli Adenylate Kinase with 20mM ADP at 293K	Catalytic Strategies used by Kinases in Phosphoryl-Transfer Reactions	Dimitr V Pachov, Dorothee Kern, Francesco Pontiggia, Lien A Phung, Michael F Hagan, Padraig N Murphy, Renee Otten, Roman V Agafonov, S Jordan J Kerns, Vu Thai, Young-Jin Cho
19089	Chemical Shifts: 4 sets	Backbone 1H, 15N Chemical Shift Assignments for wild-type Escherichia coli Adenylate Kinase with 20mM ADP at 293, 298, 303, and 313K	Catalytic Strategies used by Kinases in Phosphoryl-Transfer Reactions	Dimitr V Pachov, Dorothee Kern, Francesco Pontiggia, Lien A Phung, Michael F Hagan, Padraig N Murphy, Renee Otten, Roman V Agafonov, S Jordan J Kerns, Vu Thai, Young-Jin Cho
19093	Chemical Shifts: 1 set	Backbone 1H, 15N Chemical Shift Assignments for R156K mutant Escherichia coli Adenylate Kinase with 20mM ADP and magnesium at 293K	Catalytic Strategies used by Kinases in Phosphoryl-Transfer Reactions	Dimitr V Pachov, Dorothee Kern, Francesco Pontiggia, Lien A Phung, Michael F Hagan, Padraig N Murphy, Renee Otten, Roman V Agafonov, S Jordan J Kerns, Vu Thai, Young-Jin Cho
19091	Chemical Shifts: 1 set	Backbone 1H, 15N Chemical Shift Assignments for wild-type Escherichia coli Adenylate Kinase with 20mM ADP and Magnesium at 298K	Catalytic Strategies used by Kinases in Phosphoryl-Transfer Reactions	Dimitr V Pachov, Dorothee Kern, Francesco Pontiggia, Lien A Phung, Michael F Hagan, Padraig N Murphy, Renee Otten, Roman V Agafonov, S Jordan J Kerns, Vu Thai, Young-Jin Cho
19090	Chemical Shifts: 1 set	Backbone 1H, 15N Chemical Shift Assignments for wild-type Escherichia coli Adenylate Kinase with 20mM ADP and Calcium at 298K	Catalytic Strategies used by Kinases in Phosphoryl-Transfer Reactions	Dimitr V Pachov, Dorothee Kern, Francesco Pontiggia, Lien A Phung, Michael F Hagan, Padraig N Murphy, Renee Otten, Roman V Agafonov, S Jordan J Kerns, Vu Thai, Young-Jin Cho
17218	Chemical Rates: 1 set	Enzyme Dynamics During Catalysis	Enzyme Dynamics During Catalysis	Daryl A Bosco, Dorothee Kern, Elan Z Eisenmesser, Mikael Akke
4763	Heteronuclear NOE Values: 1 set T1 Relaxation Values: 1 set T2 Relaxation Values: 2 sets	15N relaxation data and model-free parameters for the N-terminal receiver domain of double-mutant (D86N/A89T) unphosphorylated NtrC receiver domain (NtrCr(D86N/A89T))	Two-state allosteric behavior in a single domain signaling protein	Brian F Volkman, David E Wemmer, Doron Lipson, Dorothee Kern
4762	Heteronuclear NOE Values: 1 set T1 Relaxation Values: 1 set T2 Relaxation Values: 2 sets	15N relaxation data and model-free parameters for the N-terminal receiver domain of wild-type unphosphorylated NtrC receiver domain (NtrCr)	Two-state allosteric behavior in a single domain signaling protein	Brian F Volkman, David E Wemmer, Doron Lipson, Dorothee Kern
4527	Chemical Shifts: 1 set	1H, 13C, and 15N Chemical Shift Assignments for the N-terminal receiver domain of NtrC (unphosphorylated)	Structure of a Transiently Phosphorylated "Switch" in Bacterial Signal Transduction	B F Volkman, D E Wemmer, Dorothee Kern, M J Nohaile, P Luginbuhl, S Kustu