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1DC7
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BU of 1dc7 by Molmil
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:2022-02-16
Method:SOLUTION NMR
Cite:Structure of a transiently phosphorylated switch in bacterial signal transduction.
Nature, 402, 1999
1DC8
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BU of 1dc8 by Molmil
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
1ATI
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BU of 1ati by Molmil
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
3SR0
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BU of 3sr0 by Molmil
Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: ADP/AlF4/AMP in the active site
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, ...
Authors:Cho, Y.-J, Kern, D.
Deposit date:2011-07-06
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.565 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
1ZKF
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BU of 1zkf by Molmil
Cyrstal Structure of Human Cyclophilin-A in Complex with suc-AGPF-pNA
Descriptor: Peptidyl-prolyl cis-trans isomerase A, Suc-ALA-GLY-PRO-PHE-pNA
Authors:Eisenmesser, E.Z, Thai, V, Pozharski, E, Kern, D.
Deposit date:2005-05-02
Release date:2006-04-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Mechanistic Insights of Cyclophilin-A from X-Ray Cyrstallographic and Nuclear Magnet Resonance Investigations
To be Published
6C83
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BU of 6c83 by Molmil
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
8UBH
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BU of 8ubh by Molmil
Solution NMR structure of KaiB variant from Thermosynechococcus elongatus vestitus (KaiBTV-4)
Descriptor: Circadian oscillation regulator
Authors:Ojoawo, A, Wayment-Steele, H.K, Kern, D.
Deposit date:2023-09-23
Release date:2023-10-25
Last modified:2024-02-07
Method:SOLUTION NMR
Cite:Predicting multiple conformations via sequence clustering and AlphaFold2.
Nature, 625, 2024
8SSO
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BU of 8sso by Molmil
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
8SSN
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BU of 8ssn by Molmil
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
8SSP
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BU of 8ssp by Molmil
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
1N9W
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BU of 1n9w by Molmil
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
3REU
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BU of 3reu by Molmil
Crystal structure of the archaeal asparagine synthetase A complexed with L-Aspartic acid and Adenosine triphosphate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ASPARTIC ACID, AsnS-like asparaginyl-tRNA synthetase related protein, ...
Authors:Blaise, M, Frechin, M, Charron, C, Roy, H, Sauter, C, Lorber, B, Olieric, V, Kern, D.
Deposit date:2011-04-05
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases.
J.Mol.Biol., 412, 2011
4UEU
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BU of 4ueu by Molmil
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
6CPG
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BU of 6cpg by Molmil
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
6CPE
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BU of 6cpe by Molmil
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
6CPF
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BU of 6cpf by Molmil
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
4CF7
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BU of 4cf7 by Molmil
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
1PUX
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BU of 1pux by Molmil
NMR Solution Structure of BeF3-Activated Spo0F, 20 conformers
Descriptor: Sporulation initiation phosphotransferase F
Authors:Gardino, A.K, Volkman, B.F, Cho, H.S, Lee, S.Y, Wemmer, D.E, Kern, D.
Deposit date:2003-06-25
Release date:2003-08-19
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The NMR solution structure of BeF(3)(-)-activated Spo0F reveals the conformational switch in a phosphorelay system.
J.Mol.Biol., 331, 2003
2HZ7
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BU of 2hz7 by Molmil
Crystal structure of the Glutaminyl-tRNA synthetase from Deinococcus radiodurans
Descriptor: Glutaminyl-tRNA synthetase
Authors:Deniziak, M, Sauter, C, Becker, H.D, Paulus, C, Giege, R, Kern, D.
Deposit date:2006-08-08
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Deinococcus glutaminyl-tRNA synthetase is a chimer between proteins from an ancient and the modern pathways of aminoacyl-tRNA formation
Nucleic Acids Res., 35, 2007
4C3R
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BU of 4c3r by Molmil
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
4C3P
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BU of 4c3p by Molmil
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
4M2Q
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BU of 4m2q by Molmil
Crystal structure of non-myristoylated recoverin with Cysteine-39 oxidized to sulfenic acid
Descriptor: CALCIUM ION, Recoverin
Authors:Prem Kumar, R, Chakrabarti, K, Kern, D, Oprian, D.D.
Deposit date:2013-08-05
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
5G3Y
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BU of 5g3y by Molmil
Crystal structure of adenylate kinase ancestor 1 with Zn and ADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ZINC 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 (1.18 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G40
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BU of 5g40 by Molmil
Crystal structure of adenylate kinase ancestor 4 with Zn and AMP-ADP bound
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ...
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 (1.69 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G3Z
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BU of 5g3z by Molmil
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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