8FMX
 
 | | Langya virus F glycoprotein ectodomain in prefusion form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Low, Y.S, Isaacs, A, Modhiran, N, Watterson, D. | | Deposit date: | 2022-12-26 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Structure and antigenicity of divergent Henipavirus fusion glycoproteins.
Nat Commun, 14, 2023
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8FMY
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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: | 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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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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5JTH
 | | 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
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5JQA
 | | 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
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4BZ1
 | | Structure of dengue virus EDIII in complex with Fab 3e31 | | Descriptor: | CHLORIDE ION, ENVELOPE PROTEIN, FAB 3E31 HEAVY CHAIN, ... | | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 3E31
To be Published
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4BZ2
 | | Structure of dengue virus EDIII in complex with Fab 2D73 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ENVELOPE PROTEIN, ... | | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 2D73
To be Published
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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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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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8BGG
 | | Cryo-EM structure of SARS-CoV-2 spike (Omicron BA.1 variant) in complex with nanobody W25 (map 5, focus refinement on RBD, W25 and adjacent NTD) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody W25, Spike glycoprotein, ... | | Authors: | Modhiran, N, Lauer, S, Spahn, C.M.T, Watterson, D, Schwefel, D. | | Deposit date: | 2022-10-27 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (6.04 Å) | | Cite: | Cryo-EM structure of SARS-CoV-2 spike (Omicron BA.1 variant) in complex with nanobody W25 (map 5, focus refinement on RBD, W25 and adjacent NTD)
To Be Published
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7KVB
 | | Chimeric flavivirus between Binjari virus and Murray Valley encephalitis virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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7KV9
 | | Chimeric flavivirus between Binjari virus and West Nile (Kunjin) virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Matrix protein M, envelope protein E | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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7KVA
 | | Structure of West Nile virus (Kunjin) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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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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1P4F
 | | 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
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7KV8
 | | Chimeric flavivirus between Binjari virus and Dengue virus serotype-2 | | Descriptor: | (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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1JKK
 | | 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
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1JKL
 | | 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
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1JKS
 | | 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
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7L30
 | | Binjari virus (BinJV) | | Descriptor: | Envelope protein E, prM protein | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-12-17 | | Release date: | 2021-03-10 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | The structure of an infectious immature flavivirus redefines viral architecture and maturation.
Sci Adv, 7, 2021
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1IG1
 | | 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
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