Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Entry ID | Data summary | Entry Title | Citation Title | Authors |
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31107 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 |
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 |
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 |
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 |
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 |
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 |
18808 | 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 | 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 | Chemical Shifts: 1 set |
TBA | TBA | J Peschek, M Graewert, M Groll, R Mueller, Thomas Kern, T Madl |
17218 | Chemical Rates: 1 set |
Enzyme Dynamics During Catalysis | Enzyme Dynamics During Catalysis | Daryl A Bosco, Dorothee Kern, Elan Z Eisenmesser, Mikael Akke |
5899 | 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 | 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 |
4528 | 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 | 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 | 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 |