1DC7
 
 | | STRUCTURE OF A TRANSIENTLY PHOSPHORYLATED "SWITCH" IN BACTERIAL SIGNAL TRANSDUCTION | | Descriptor: | NITROGEN REGULATION PROTEIN | | Authors: | Kern, D, Volkman, B.F, Luginbuhl, P, Nohaile, M.J, Kustu, S, Wemmer, D.E. | | Deposit date: | 1999-11-04 | | Release date: | 2000-01-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of a transiently phosphorylated switch in bacterial signal transduction.
Nature, 402, 1999
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1DC8
 | | STRUCTURE OF A TRANSIENTLY PHOSPHORYLATED "SWITCH" IN BACTERIAL SIGNAL TRANSDUCTION | | Descriptor: | NITROGEN REGULATION PROTEIN | | Authors: | Kern, D, Volkman, B.F, Luginbuhl, P, Nohaile, M.J, Kustu, S, Wemmer, D.E. | | Deposit date: | 1999-11-04 | | Release date: | 2000-01-05 | | Last modified: | 2022-12-21 | | Method: | SOLUTION NMR | | Cite: | Structure of a transiently phosphorylated switch in bacterial signal transduction.
Nature, 402, 1999
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6CPG
 | | Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation | | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody | | Authors: | Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
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6CPE
 | | Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A | | Authors: | Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
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6CPF
 | | Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP in an active conformation | | Descriptor: | Aurora kinase A, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Otten, R, Zorba, A, Padua, R.A.P, Kern, D. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
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4UEU
 | | Tyrosine kinase AS - a common ancestor of Src and Abl | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL | | Authors: | Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D. | | Deposit date: | 2014-12-18 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
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1N9W
 | | Crystal structure of the non-discriminating and archaeal-type aspartyl-tRNA synthetase from Thermus thermophilus | | Descriptor: | aspartyl-tRNA synthetase 2 | | Authors: | Charron, C, Roy, H, Blaise, M, Giege, R, Kern, D. | | Deposit date: | 2002-11-26 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Non-discriminating and discriminating aspartyl-tRNA synthetases differ in
the anticodon-binding domain
EMBO J., 22, 2003
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8UBH
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5G3Z
 | | Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound | | Descriptor: | ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Nguyen, V, Kutter, S, English, J, Kern, D. | | Deposit date: | 2016-05-03 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
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2MSL
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4K46
 | | Crystal Structure of Adenylate Kinase from Photobacterium profundum | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, ... | | Authors: | Cho, Y.-J, Kerns, S.J, Kern, D. | | Deposit date: | 2013-04-12 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Alike but Different: Adenylate kinases from E. Coli, Aquifex, and P. profundum
To be Published
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3SR0
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6C83
 | | Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP | | Descriptor: | Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D. | | Deposit date: | 2018-01-24 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4A91
 | | Crystal structure of the glutamyl-queuosine tRNAAsp synthetase from E. coli complexed with L-glutamate | | Descriptor: | GLUTAMIC ACID, GLUTAMYL-Q TRNA(ASP) SYNTHETASE, ZINC ION | | Authors: | Blaise, M, Olieric, V, Sauter, C, Lorber, B, Roy, B, Karmakar, S, Banerjee, R, Becker, H.D, Kern, D. | | Deposit date: | 2011-11-22 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of Glutamyl-Queuosine Trnaasp Synthetase Complexed with L-Glutamate: Structural Elements Mediating tRNA-Independent Activation of Glutamate and Glutamylation of Trnaasp Anticodon.
J.Mol.Biol., 381, 2008
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7K4Y
 | | Crystal structure of Kemp Eliminase HG3.17 at 343 K | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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7K4X
 | | Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ... | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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1ATI
 | | CRYSTAL STRUCTURE OF GLYCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS | | Descriptor: | GLYCYL-TRNA SYNTHETASE, GLYCYL-tRNA SYNTHETASE | | Authors: | Logan, D.T, Mazauric, M.-H, Kern, D, Moras, D. | | Deposit date: | 1996-04-23 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of glycyl-tRNA synthetase from Thermus thermophilus.
EMBO J., 14, 1995
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4C3P
 | | Structure of dephosphorylated Aurora A (122-403) bound to TPX2 and AMPPCP | | Descriptor: | AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION, ... | | Authors: | Zorba, A, Kutter, S, Kern, D. | | Deposit date: | 2013-08-26 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2.
Elife, 3, 2014
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4C3R
 | | Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP | | Descriptor: | AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Zorba, A, Kutter, S, Cho, Y.-J, Kern, D. | | Deposit date: | 2013-08-26 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2.
Elife, 3, 2014
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4CF7
 | | Crystal structure of adenylate kinase from Aquifex aeolicus with MgADP bound | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINASE, ... | | Authors: | Kerns, S.J, Agafonov, R.V, Cho, Y.-J, Pontiggia, F, Otten, R, Pachov, D.V, Kutter, S, Phung, L.A, Murphy, P.N, Thai, V, Hagan, M.F, Kern, D. | | Deposit date: | 2013-11-13 | | Release date: | 2014-12-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.594 Å) | | Cite: | The Energy Landscape of Adenylate Kinase During Catalysis.
Nat.Struct.Mol.Biol., 22, 2015
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8SSN
 | | Abl kinase in complex with SKI and asciminib | | Descriptor: | 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Ludewig, H, Kim, C, Kern, D. | | Deposit date: | 2023-05-08 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8SSP
 | | AurA bound to danusertib and activating monobody Mb1 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Ludewig, H, Kim, C, Kern, D. | | Deposit date: | 2023-05-08 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8SSO
 | | AurA bound to danusertib and inhibiting monobody Mb2 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aurora kinase A, ... | | Authors: | Ludewig, H, Kim, C, Kern, D. | | Deposit date: | 2023-05-08 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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1ZKF
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6CMR
 | | Closed structure of active SHP2 mutant E76D bound to SHP099 inhibitor | | Descriptor: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | Deposit date: | 2018-03-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
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