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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:2024-05-22
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
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
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:2024-05-15
Method:SOLUTION NMR
Cite:Predicting multiple conformations via sequence clustering and AlphaFold2.
Nature, 625, 2024
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
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
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
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
3KFU
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BU of 3kfu by Molmil
Crystal structure of the transamidosome
Descriptor: Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, Glutamyl-tRNA(Gln) amidotransferase subunit A, Glutamyl-tRNA(Gln) amidotransferase subunit C, ...
Authors:Blaise, M, Bailly, M, Frechin, M, Thirup, S, Becker, H.D, Kern, D.
Deposit date:2009-10-28
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a transfer-ribonucleoprotein particle that promotes asparagine formation.
Embo J., 29, 2010
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
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
2RGX
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BU of 2rgx by Molmil
Crystal Structure of Adenylate Kinase from Aquifex Aeolicus in complex with Ap5A
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION
Authors:Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D.
Deposit date:2007-10-05
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
2RH5
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BU of 2rh5 by Molmil
Structure of Apo Adenylate Kinase from Aquifex Aeolicus
Descriptor: Adenylate kinase
Authors:Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D.
Deposit date:2007-10-05
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
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
8DB3
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BU of 8db3 by Molmil
Crystal structure of KaiC with truncated C-terminal coiled-coil domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC
Authors:Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
Deposit date:2022-06-14
Release date:2023-03-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:From primordial clocks to circadian oscillators.
Nature, 616, 2023
8DBA
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BU of 8dba by Molmil
Crystal structure of dodecameric KaiC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC, MAGNESIUM ION
Authors:Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
Deposit date:2022-06-14
Release date:2023-03-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:From primordial clocks to circadian oscillators.
Nature, 616, 2023
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
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
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
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
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:2024-05-22
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
9CJ1
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BU of 9cj1 by Molmil
Dual phosphorylated human p38 alpha bound to nilotinib
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 14, Nilotinib
Authors:Stadnicki, E.J, Ludewig, H, Prem Kumar, R, Kern, D, Bradshaw, N.
Deposit date:2024-07-05
Release date:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dual-Action Kinase Inhibitors Influence p38 alpha MAP Kinase Dephosphorylation.
Biorxiv, 2024

 

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