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: | 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
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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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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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4EWQ
| 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
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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, 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
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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, 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
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4FA2
| 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
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4FS0
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4FQP
| Crystal structure of human Nectin-like 5 full ectodomain (D1-D3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor, ... | Authors: | Harrison, O.J, Jin, X, Brasch, J, Shapiro, L. | Deposit date: | 2012-06-25 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Nectin ectodomain structures reveal a canonical adhesive interface. Nat.Struct.Mol.Biol., 19, 2012
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4FOM
| Crystal structure of human nectin-3 full ectodomain (D1-D3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor-related protein 3, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Harrison, O.J, Jin, X, Brasch, J, Shapiro, L. | Deposit date: | 2012-06-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.93 Å) | Cite: | Nectin ectodomain structures reveal a canonical adhesive interface. Nat.Struct.Mol.Biol., 19, 2012
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4FN0
| Crystal structure of mouse nectin-2 extracellular fragment D1-D2, 2nd crystal form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor-related protein 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Harrison, O.J, Brasch, J, Shapiro, L. | Deposit date: | 2012-06-18 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Nectin ectodomain structures reveal a canonical adhesive interface. Nat.Struct.Mol.Biol., 19, 2012
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4FMF
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4FRW
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4FMK
| Crystal structure of mouse nectin-2 extracellular fragment D1-D2 | Descriptor: | CADMIUM ION, Poliovirus receptor-related protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Harrison, O.J, Brasch, J, Shapiro, L. | Deposit date: | 2012-06-17 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Nectin ectodomain structures reveal a canonical adhesive interface. Nat.Struct.Mol.Biol., 19, 2012
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3Q2L
| Mouse E-cadherin EC1-2 V81D mutant | Descriptor: | CALCIUM ION, Cadherin-1, PENTAETHYLENE GLYCOL | Authors: | Harrison, O.J, Jin, X, Shapiro, L. | Deposit date: | 2010-12-20 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins. Structure, 19, 2011
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3Q2N
| Mouse E-cadherin EC1-2 L175D mutant | Descriptor: | CALCIUM ION, Cadherin-1, TETRAETHYLENE GLYCOL | Authors: | Harrison, O.J, Jin, X, Shapiro, L. | Deposit date: | 2010-12-20 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins. Structure, 19, 2011
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3Q2V
| Crystal structure of mouse E-cadherin ectodomain | Descriptor: | CALCIUM ION, Cadherin-1, MANGANESE (II) ION, ... | Authors: | Jin, X, Harrison, O.J, Shapiro, L. | Deposit date: | 2010-12-20 | Release date: | 2011-04-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins. Structure, 19, 2011
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3Q2W
| Crystal structure of mouse N-cadherin ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Jin, X, Shapiro, L. | Deposit date: | 2010-12-20 | Release date: | 2011-02-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins. Structure, 19, 2011
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