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PDB: 97 results

8DRN
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BU of 8drn by Molmil
LRRC8A:C conformation 1 (round) LRR focus 1
Descriptor: Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-07-21
Release date:2023-03-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
8F75
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BU of 8f75 by Molmil
LRRC8A(T48D):C conformation 2 LRR focus
Descriptor: Volume-regulated anion channel subunit LRRC8A, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-11-18
Release date:2023-03-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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
8FWI
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Structure of dodecameric KaiC-RS-S413E/S414E solved by cryo-EM
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, 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:2023-01-22
Release date:2023-03-22
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:From primordial clocks to circadian oscillators.
Nature, 616, 2023
8FWJ
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BU of 8fwj by Molmil
Structure of dodecameric KaiC-RS-S413E/S414E complexed with KaiB-RS solved by cryo-EM
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiB, ...
Authors:Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
Deposit date:2023-01-22
Release date:2023-03-22
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:From primordial clocks to circadian oscillators.
Nature, 616, 2023
4A91
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BU of 4a91 by Molmil
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
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
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
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
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
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
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
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
1NZJ
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BU of 1nzj by Molmil
Crystal Structure and Activity Studies of Escherichia Coli Yadb ORF
Descriptor: Hypothetical protein yadB, ZINC ION
Authors:Campanacci, V, Kern, D.Y, Becker, H.D, Spinelli, S, Valencia, C, Vincentelli, R, Pagot, F, Bignon, C, Giege, R, Cambillau, C.
Deposit date:2003-02-18
Release date:2004-04-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Escherichia coli YadB gene product reveals a novel aminoacyl-tRNA synthetase like activity.
J.Mol.Biol., 337, 2004
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
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
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
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
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
4IKE
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BU of 4ike by Molmil
Crystal Structure of a partly open ATP-lid of liganded Adenylate kinase
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Kern, D.
Deposit date:2012-12-26
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The ATP-Lid Opened Adenylate Kinase with Fully Occupied Substrates
To be Published
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

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