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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
31107	2023-10-18	Chemical Shifts: 1 set	Solution NMR structure of KaiB variant from Thermosynechococcus elongatus vestitus (KaiBTV-4)	Predicting multiple conformations via sequence clustering and AlphaFold2	Adedolapo M Ojoawo, D Kern, Hannah Wayment-Steele, Julia Apitz, Lucy Colwell, M Homberger, Renee Otten, Sergey Ovchinnikov, Warintra Pitsawong
52017	2023-11-28	Chemical Shifts: 1 set	KaiBRS-3m	Predicting multiple conformations via sequence clustering and AlphaFold2	Adedolapo M Ojoawo, D Kern, Hannah Wayment-Steele, Julia Apitz, Lucy Colwell, M Homberger, Renee Otten, Sergey Ovchinnikov, Warintra Pitsawong
52018	2023-11-28	Chemical Shifts: 2 sets	Backbone 1H, 13C, and 15N chemical shift assignments of the ground state and the fold-switched state of KaiB-RS	Predicting multiple conformations via sequence clustering and AlphaFold2	Adedolapo M Ojoawo, D Kern, Hannah Wayment-Steele, Julia Apitz, Lucy Colwell, M Homberger, Renee Otten, Sergey Ovchinnikov, Warintra Pitsawong
51232	2022-03-09	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
51233	2022-03-09	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
50471	2020-12-28	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
27522	2018-11-16	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
27520	2018-11-16	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
27521	2018-11-16	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
27217	2018-04-18	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
27218	2018-04-18	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
34124	2017-10-31	Chemical Shifts: 1 set	Solution structure of Drosophila melanogaster Loquacious dsRBD1	Molecular basis for asymmetry sensing of siRNAs by the Drosophila Loqs-PD / Dcr-2 complex in RNA interference	A Geerlof, C Kreutz, C Wunderlich, JN Tants, K Foerstemann, M Sattler, O Lange, R Boettcher, R Stehle, S Fesser, S Kunzelmann, T Kern
34123	2017-10-31	Chemical Shifts: 1 set	Solution structure of Drosophila melanogaster Loquacious dsRBD2	Molecular basis for asymmetry sensing of siRNAs by the Drosophila Loqs-PD / Dcr-2 complex in RNA interference	A Geerlof, C Hartlmuller, C Kreutz, C Wunderlich, JN Tants, K Foerstemann, M Juen, M Sattler, O Lange, R Boettcher, R Stehle, S Fesser, S Kunzelmann, T Kern
25125	2015-06-29	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	2015-06-29	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
19091	2014-12-18	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
19092	2014-12-18	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
19093	2014-12-18	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
19090	2014-12-18	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
19089	2014-12-18	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
18808	2013-01-28	Chemical Shifts: 2 sets	Structure, phosphorylation and U2AF65 binding of the Nterminal domain of splicing factor 1 during 3 splice site recognition	Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition	Angela Kraemer, Hyun-Seo Kang, Ivona Bagdiul, Michael Sattler, Nina Maeusbacher, Peijian Zou, Stephan Sieber, Thomas Kern, Tobias Madl, Yun Zhang
18802	2013-01-28	Chemical Shifts: 1 set	Structure, phosphorylation and U2AF65 binding of the Nterminal domain of splicing factor 1 during 3 splice site recognition	Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition	Angela Kraemer, Hyun-Seo Kang, Ivona Bagdiul, Michael Sattler, Nina Maeusbacher, Peijian Zou, Stephan Sieber, Thomas Kern, Tobias Madl, Yun Zhang
18711	2013-06-10	Chemical Shifts: 1 set	TBA	TBA	J Peschek, M Graewert, M Groll, R Mueller, Thomas Kern, T Madl
17218	2010-11-10	Chemical Rates: 1 set	Enzyme Dynamics During Catalysis	Enzyme Dynamics During Catalysis	Daryl A Bosco, Dorothee Kern, Elan Z Eisenmesser, Mikael Akke
5899	2003-10-06	Chemical Shifts: 1 set	NMR Solution Structure of BeF3-Activated Spo0F, 20 conformers	The NMR Solution Structure of BeF(3)(-)-activated Spo0F Reveals the Conformational Switch in a Phosphorelay System	A K Gardino, B F Volkman, D E Wemmer, D Kern, H S Cho, S Y Lee
4763	2002-04-11	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	2002-04-11	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	2000-06-16	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
4528	2000-06-16	Chemical Shifts: 1 set	1H, 13C, and 15N Chemical Shift Assignments for the N-terminal receiver domain of NtrC (phosphorylated)	Structure of a Transiently Phosphorylated "Switch" in Bacterial Signal Transduction	B F Volkman, D E Wemmer, D Kern, M J Nohaile, P Luginbuhl, S Kustu
4330	2005-01-21	Chemical Shifts: 1 set	A Single-Chain T Cell Receptor	Structure, Specificity and CDR Mobility of a Class II Restricted T Cell Receptor.	B J Hare, D F Wyss, E L Reinherz, G Wagner, M S Osburne, P S Kern
4097	1999-01-25	Chemical Shifts: 1 set	Backbone 1H, 13C and 15N Chemical Shift Assignment for the HIV-1 RNase H Domain	Characterization of a Folding Intermediate from HIV-1 Ribonuclease H	Kern Gunther, Susan Marqusee, Tracy M Handel