9MIU
 
 | | Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound MW01-9-039SRM. | | Descriptor: | 6-chloro-N,N-dimethyl-5-(pyridin-4-yl)pyridazin-3-amine, Death-associated protein kinase 1, SULFATE ION | | Authors: | Minasov, G, Winsor, J, Roy, S.M, Watterson, D.M, Shuvalova, L. | | Deposit date: | 2024-12-13 | | Release date: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound MW01-9-039SRM.
To Be Published
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9MHB
 | | Crystal Structure of Human P38 alpha MAPK In Complex with MW01-14-064SRM | | Descriptor: | (5P)-N,N-dimethyl-5-(naphthalen-1-yl)-6-(pyridin-4-yl)pyrazin-2-amine, 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ... | | Authors: | Minasov, G, Tokars, V.L, Roy, S.M, Watterson, D.M, Shuvalova, L. | | Deposit date: | 2024-12-11 | | Release date: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Human P38 alpha MAPK In Complex with MW01-14-064SRM
To Be Published
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9N1T
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9N2M
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9N2O
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9NYT
 | | Crystal structure of Human p38 alpha MAPK in Complex with MW01-32-154JS | | Descriptor: | (3P)-3-(naphthalen-2-yl)-6-(piperazin-1-yl)-4-(pyridin-4-yl)pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ETHANEPEROXOIC ACID, ... | | Authors: | Brunzelle, J.S, Shuvalova, L, Roy, S.M, Watterson, D.M. | | Deposit date: | 2025-03-28 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of Human p38 alpha MAPK in Complex with
MW01-32-154JS
To Be Published
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9O4L
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4R3C
 | | 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: | 2024-11-27 | | 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
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4YO4
 | | 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
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4YPD
 | | 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
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9DUB
 | | Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-25-071 | | Descriptor: | 4-(pyridin-4-yl)pyridazine, CHLORIDE ION, Death-associated protein kinase 1, ... | | Authors: | Minasov, G, Winsor, J, Roy, S.M, Watterson, D.M, Shuvalova, L. | | Deposit date: | 2024-10-02 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-25-071
To Be Published
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9DUE
 | | Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-07-081a | | Descriptor: | 3-chloro-6-(4-methylpiperazin-1-yl)-4-(pyridin-4-yl)pyridazine, BORIC ACID, Death-associated protein kinase 1, ... | | Authors: | Minasov, G, Winsor, J, Roy, S.M, Watterson, D.M, Shuvalova, L. | | Deposit date: | 2024-10-02 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-07-081a
To Be Published
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4F9Y
 | | Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor | | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 14, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2012-05-21 | | Release date: | 2013-06-05 | | Last modified: | 2024-12-11 | | 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
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4F9W
 | | 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, Roy, S.M, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2012-05-21 | | Release date: | 2013-06-05 | | Last modified: | 2024-12-11 | | 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
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4ZTH
 | | 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
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