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4F9Y
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BU of 4f9y by Molmil
Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor
Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
Deposit date:2012-05-21
Release date:2013-06-05
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
4F9W
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BU of 4f9w by Molmil
Human P38alpha MAPK in Complex with a Novel and Selective Small Molecule Inhibitor
Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
Deposit date:2012-05-21
Release date:2013-06-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
4FA2
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BU of 4fa2 by Molmil
Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063
Descriptor: 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, ...
Authors:Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
Deposit date:2012-05-21
Release date:2013-06-05
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
4R3C
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BU of 4r3c by Molmil
Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate
Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ...
Authors:Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M.
Deposit date:2014-08-14
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
4YO4
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BU of 4yo4 by Molmil
Crystal Structure of DAPK1 catalytic domain in complex with the hinge binding fragment phthalazine
Descriptor: ACETATE ION, CHLORIDE ION, Death-associated protein kinase 1, ...
Authors:Grum-Tokars, V.L, Roy, S.M, Minasov, G, Anderson, W.F, Watterson, D.M.
Deposit date:2015-03-11
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of DAPK1 catalytic domain in complex with hinge binding fragments
To Be Published
4YPD
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BU of 4ypd by Molmil
Crystal Structure of DAPK1 catalytic domain in complex with the hinge binding fragment 4-methylpyridazine
Descriptor: 4-methylpyridazine, CHLORIDE ION, Death-associated protein kinase 1, ...
Authors:Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M.
Deposit date:2015-03-12
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of DAPK1 catalytic domain in complex with hinge binding fragments
To Be Published
4EWQ
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BU of 4ewq by Molmil
Human p38 alpha MAPK in complex with a pyridazine based inhibitor
Descriptor: 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ...
Authors:Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-04-27
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
5JTH
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BU of 5jth by Molmil
Crystal structure of E67A calmodulin - CaM:RM20 analog complex
Descriptor: CALCIUM ION, Calmodulin, Myosin light chain kinase, ...
Authors:Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
Deposit date:2016-05-09
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of E67A calmodulin - CaM:RM20 analog complex
To Be Published
5JQA
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CaM:RM20 complex
Descriptor: CALCIUM ION, Calmodulin, Myosin light chain kinase, ...
Authors:Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
Deposit date:2016-05-04
Release date:2017-10-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CaM:RM20 complex
To be Published
4ZTH
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BU of 4zth by Molmil
Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery
Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, BETA-MERCAPTOETHANOL, ...
Authors:Grum-Tokars, V.L, Roy, S.M, Watterson, D.M.
Deposit date:2015-05-14
Release date:2016-06-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
1P4F
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BU of 1p4f by Molmil
DEATH ASSOCIATED PROTEIN KINASE CATALYTIC DOMAIN WITH BOUND INHIBITOR FRAGMENT
Descriptor: 5,6-Dihydro-benzo[H]cinnolin-3-ylamine, Death-associated protein kinase 1
Authors:Velentza, A.V, Wainwright, M.S, Zasadzki, M, Mirzoeva, S, Haiech, J, Focia, P.J, Egli, M, Watterson, D.M.
Deposit date:2003-04-23
Release date:2004-09-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An aminopyridazine-based inhibitor of a pro-apoptotic protein kinase attenuates hypoxia-ischemia induced acute brain injury.
Bioorg.Med.Chem.Lett., 13, 2003
1IG1
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BU of 1ig1 by Molmil
1.8A X-Ray structure of ternary complex of a catalytic domain of death-associated protein kinase with ATP analogue and Mn.
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, death-associated protein kinase
Authors:Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M.
Deposit date:2001-04-16
Release date:2002-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression.
Nat.Struct.Biol., 8, 2001
1JKL
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BU of 1jkl by Molmil
1.6A X-RAY STRUCTURE OF BINARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M.
Deposit date:2001-07-12
Release date:2002-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression.
Nat.Struct.Biol., 8, 2001
1JKS
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BU of 1jks by Molmil
1.5A X-RAY STRUCTURE OF APO FORM OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE
Authors:Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M.
Deposit date:2001-07-13
Release date:2002-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression.
Nat.Struct.Biol., 8, 2001
1JKT
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BU of 1jkt by Molmil
TETRAGONAL CRYSTAL FORM OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE
Authors:Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M.
Deposit date:2001-07-13
Release date:2002-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression.
Nat.Struct.Biol., 8, 2001
1JKK
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BU of 1jkk by Molmil
2.4A X-RAY STRUCTURE OF TERNARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE AND MG.
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M.
Deposit date:2001-07-12
Release date:2002-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression.
Nat.Struct.Biol., 8, 2001
3DGK
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BU of 3dgk by Molmil
Crystal structure of a glycine-rich loop mutant of the death associated protein kinase catalytic domain
Descriptor: Death-associated protein kinase 1
Authors:McNamara, L.K, Schavocky, J.P, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-06-13
Release date:2009-05-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High resolution crystal structures of the death associated protein kinase catalytic domain with a key point mutation in the glycine-rich loop
To be Published
3DFC
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BU of 3dfc by Molmil
Crystal structure of a glycine-rich loop mutant of the death associated protein kinase catalytic domain with AMPPNP
Descriptor: Death-associated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:McNamara, L.K, Schavocky, J.P, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-06-11
Release date:2009-05-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution crystal structures of the death associated protein kinase catalytic domain with a key point mutation in the glycine-rich loop
To be Published
3EH9
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BU of 3eh9 by Molmil
Crystal structure of death associated protein kinase complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1, SULFATE ION
Authors:McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-09-11
Release date:2009-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
3EHA
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BU of 3eha by Molmil
Crystal structure of death associated protein kinase complexed with AMPPNP
Descriptor: Death-associated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-09-11
Release date:2009-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
3F5G
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BU of 3f5g by Molmil
Crystal structure of death associated protein kinase in complex with ADP and Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1, MAGNESIUM ION
Authors:McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-11-03
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
3F5U
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BU of 3f5u by Molmil
Crystal structure of the death associated protein kinase in complex with AMPPNP and Mg2+
Descriptor: Death-associated protein kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-11-04
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
3GU4
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BU of 3gu4 by Molmil
Crystal structure of DAPKQ23V-AMPPNP
Descriptor: Death-associated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
Deposit date:2009-03-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Enzymatic activity and crystallgoraphic analyses of a glycine-rich loop mutant of DAPK
To be Published
3GU7
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BU of 3gu7 by Molmil
Crystal structure of DAPKQ23V-ADP-Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1, MAGNESIUM ION
Authors:McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
Deposit date:2009-03-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzyme activity and crystallographic analyses of a glycine-rich loop mutant of DAPK
To be Published
3GU6
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BU of 3gu6 by Molmil
Crystal structure of DAPKQ23V-ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1
Authors:McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
Deposit date:2009-03-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Enzymatic activity and crystallographic analyses of a glycine-rich loop mutant of DAPK
To be Published

 

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