7SXH
| BIO-8546 bound GSK3beta-axin complex | Descriptor: | (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Glycogen synthase kinase-3 beta, axin peptide | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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7M0K
| HPK1 IN COMPLEX WITH COMPOUND 1 | Descriptor: | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-03-11 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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2NPQ
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2P3G
| Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2 | Descriptor: | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 2 | Authors: | Kurumbail, R.G, Caspers, N. | Deposit date: | 2007-03-08 | Release date: | 2007-06-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Pyrrolopyridine Inhibitors of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK-2). J.Med.Chem., 50, 2007
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2OXD
| Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors | Descriptor: | 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Casein kinase II subunit alpha | Authors: | Battistutta, R, Zanotti, G, Cendron, L. | Deposit date: | 2007-02-20 | Release date: | 2007-09-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules. Chembiochem, 8, 2007
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2PE2
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7S6U
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7S48
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7S6V
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7S46
| PAK4cat (D440N/S474E) in complex with Integrin beta5 760-770 peptide | Descriptor: | Integrin beta-5, Isoform 2 of Serine/threonine-protein kinase PAK 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2021-09-08 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for integrin adhesion receptor binding to p21-activated kinase 4 (PAK4) Commun Biol, 5, 2022
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2PE0
| CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ... | Authors: | Whitlow, M, Adler, M. | Deposit date: | 2007-04-01 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity. Bioorg.Med.Chem.Lett., 17, 2007
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2OU7
| Structure of the Catalytic Domain of Human Polo-like Kinase 1 | Descriptor: | ACETATE ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ding, Y.-H, Kothe, M, Kohls, D, Low, S. | Deposit date: | 2007-02-09 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the catalytic domain of human polo-like kinase 1. Biochemistry, 46, 2007
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2OWB
| Structure of the Catalytic Domain of Human Polo-like Kinase 1 | Descriptor: | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Ding, Y.-H, Kothe, M, Kohls, D, Low, S. | Deposit date: | 2007-02-15 | Release date: | 2007-04-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the catalytic domain of human polo-like kinase 1. Biochemistry, 46, 2007
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2P33
| Synthesis and SAR of Aminopyrimidines as Novel c-Jun N-Terminal Kinase (JNK) Inhibitors | Descriptor: | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide, c-Jun N-terminal kinase 3 | Authors: | Ceska, T.A, Platt, A, Fortunato, M, Dickson, K.M, Sharpe, A. | Deposit date: | 2007-03-08 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors Bioorg.Med.Chem.Lett., 17, 2007
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2OW3
| Glycogen synthase kinase-3 beta in complex with bis-(indole)maleimide pyridinophane inhibitor | Descriptor: | BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE, Glycogen synthase kinase-3 beta | Authors: | Zhang, H.C, Bonaga, L.V, Ye, H, Derian, C.K, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2007-02-15 | Release date: | 2008-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel bis(indolyl)maleimide pyridinophanes that are potent, selective inhibitors of glycogen synthase kinase-3. Bioorg.Med.Chem.Lett., 17, 2007
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7U36
| Crystal structure of human GSK3B in complex with ARN1484 | Descriptor: | (3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2022-02-25 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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2OXX
| Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32 | Descriptor: | 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE, Casein kinase II subunit alpha | Authors: | Battistutta, R, Zanotti, G, Cendron, L. | Deposit date: | 2007-02-21 | Release date: | 2007-09-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules. Chembiochem, 8, 2007
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7U2Z
| Crystal structure of human GSK3B in complex with G12 | Descriptor: | (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2022-02-25 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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7U31
| Crystal structure of human GSK3B in complex with G5 | Descriptor: | 5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine, CHLORIDE ION, Glycogen synthase kinase-3 beta | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2022-02-25 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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7U33
| Crystal structure of human GSK3B in complex with ARN9133 | Descriptor: | 3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2022-02-25 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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7LVI
| CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | Descriptor: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | Authors: | Muckelbauer, J.K. | Deposit date: | 2021-02-25 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64, 2021
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7LVH
| CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE | Descriptor: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ... | Authors: | Muckelbauer, J.K. | Deposit date: | 2021-02-25 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64, 2021
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2OXY
| Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32 | Descriptor: | 4,5,6,7-TETRABROMO-BENZIMIDAZOLE, Casein kinase II subunit alpha | Authors: | Battistutta, R, Zanotti, G, Cendron, L. | Deposit date: | 2007-02-21 | Release date: | 2007-09-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.812 Å) | Cite: | The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules. Chembiochem, 8, 2007
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7M0M
| HPK1 IN COMPLEX WITH COMPOUND 1 | Descriptor: | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-03-11 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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2P55
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