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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
9CJ2
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BU of 9cj2 by Molmil
Dual phosphorylated human p38 alpha
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 14
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 (2.83 Å)
Cite:Dual-Action Kinase Inhibitors Influence p38 alpha MAP Kinase Dephosphorylation.
Biorxiv, 2024
9CJ5
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BU of 9cj5 by Molmil
Unphosphorylated human p38 alpha bound to pexmetinib
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, Mitogen-activated protein kinase 14, ...
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 (3.3 Å)
Cite:Dual-Action Kinase Inhibitors Influence p38 alpha MAP Kinase Dephosphorylation.
Biorxiv, 2024
9CJ3
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BU of 9cj3 by Molmil
Dual phosphorylated human p38 alpha bound to pexmetinib
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, DIMETHYL SULFOXIDE, ...
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 (1.95 Å)
Cite:Dual-Action Kinase Inhibitors Influence p38 alpha MAP Kinase Dephosphorylation.
Biorxiv, 2024
4JL5
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BU of 4jl5 by Molmil
A high resolution structure of Aquifex Adenylate kinase with 2 ADP's
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JL6
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BU of 4jl6 by Molmil
Crystal Structure of Adenylate kinase with 2 ADP's
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLO
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BU of 4jlo by Molmil
Crystal structure of Aquifex adenylate kinase R150K mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Phung, L, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLA
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BU of 4jla by Molmil
Crystal Structure of Adenylate kinase with 2 ADP's in the active site
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JKY
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BU of 4jky by Molmil
Cobalt between two ADP's in the active site of adenylate kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, COBALT (II) ION
Authors:Cho, Y.-J, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.373 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLB
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BU of 4jlb by Molmil
Crystal Structures of Adenylate kinase with 2ADP's
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLP
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BU of 4jlp by Molmil
Crystal structure of R150K aquifex adenylate kinase mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Phung, L, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JL8
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BU of 4jl8 by Molmil
A various kinds of ADP conformations in the Adenylate kinase active site
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLD
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BU of 4jld by Molmil
Crystal Structures of adenylate kinase with 2 ADP's
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
3P8Y
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BU of 3p8y by Molmil
Crystal structure of the archaeal asparagine synthetase A complexed with L-Asparagine
Descriptor: ASPARAGINE, AsnS-like asparaginyl-tRNA synthetase related protein
Authors:Blaise, M, Kern, D.
Deposit date:2010-10-15
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases.
J.Mol.Biol., 412, 2011
3P8T
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BU of 3p8t by Molmil
Crystal structure of the archaeal asparagine synthetase A
Descriptor: AsnS-like asparaginyl-tRNA synthetase related protein
Authors:Blaise, M, Kern, D.
Deposit date:2010-10-15
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases.
J.Mol.Biol., 412, 2011
3REX
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BU of 3rex by Molmil
Crystal structure of the archaeal asparagine synthetase A complexed with Adenosine monophosphate
Descriptor: ADENOSINE MONOPHOSPHATE, AsnS-like asparaginyl-tRNA synthetase related protein, MAGNESIUM ION
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 (1.8 Å)
Cite:Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases.
J.Mol.Biol., 412, 2011
3RL6
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BU of 3rl6 by Molmil
Crystal structure of the archaeal asparagine synthetase A complexed with L-Asparagine and Adenosine monophosphate
Descriptor: ADENOSINE MONOPHOSPHATE, ASPARAGINE, Archaeal asparagine synthetase A, ...
Authors:Blaise, M, Frechin, M, Charron, C, Roy, H, Sauter, C, Lorber, B, Olieric, V, Kern, D.
Deposit date:2011-04-19
Release date:2011-08-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases.
J.Mol.Biol., 412, 2011
3P8V
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BU of 3p8v by Molmil
Crystal structure of the archaeal asparagine synthetase A complexed with L-Aspartic acid
Descriptor: ASPARTIC ACID, AsnS-like asparaginyl-tRNA synthetase related protein
Authors:Blaise, M, Kern, D.
Deposit date:2010-10-15
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases.
J.Mol.Biol., 412, 2011
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
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
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
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
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
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
7K4Y
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BU of 7k4y by Molmil
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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