6E37
| O-GlcNAc Transferase in complex with covalent inhibitor | Descriptor: | (2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), O-GlcNAc transferase subunit p110, TYR-PRO-GLY-GLY-SER-THR-PRO-VAL-SER-SER-ALA-ASN | Authors: | Li, H, Jiang, J. | Deposit date: | 2018-07-13 | Release date: | 2019-11-06 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.531 Å) | Cite: | Targeted covalent inhibition of O-GlcNAc transferase in cells. Chem.Commun.(Camb.), 55, 2019
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7QGC
| H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 5.5 | Descriptor: | 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ... | Authors: | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | Deposit date: | 2021-12-08 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes. Sci Rep, 12, 2022
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5H8B
| Crystal structure of CK2 with compound 2 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2015-12-23 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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7B8I
| Tetragonal structure of human protein kinase CK2 catalytic subunit in complex with a heparin oligo saccharide | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Schnitzler, A. | Deposit date: | 2020-12-12 | Release date: | 2021-02-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural basis for the design of bisubstrate inhibitors of protein kinase CK2 provided by complex structures with the substrate-competitive inhibitor heparin. Eur.J.Med.Chem., 214, 2021
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7QGB
| H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 6.5 | Descriptor: | 5,6-DIBROMOBENZOTRIAZOLE, Casein kinase II subunit alpha | Authors: | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | Deposit date: | 2021-12-08 | Release date: | 2022-10-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes. Sci Rep, 12, 2022
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8PVP
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18 | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide | Authors: | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-07-18 | Release date: | 2023-09-20 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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8QWY
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid | Descriptor: | 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-20 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid To Be Published
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5VIE
| Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase | Descriptor: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, ... | Authors: | Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H. | Deposit date: | 2017-04-15 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase. Nat. Chem. Biol., 13, 2017
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8QWZ
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid | Descriptor: | 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-20 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid To Be Published
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9EPX
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 | Descriptor: | 1,2-ETHANEDIOL, 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine, Casein kinase II subunit alpha, ... | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 To Be Published
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3AT3
| Crystal structure of CK2alpha with pyradine derivative | Descriptor: | (1-{6-[6-(cyclopentylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid, Casein kinase II subunit alpha | Authors: | Kinoshita, T. | Deposit date: | 2010-12-23 | Release date: | 2011-11-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase Mol.Cell.Biochem., 356, 2011
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9EPY
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-20 | Release date: | 2024-05-01 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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9EPZ
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-20 | Release date: | 2024-05-01 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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5CQW
| Tetragonal Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry | Descriptor: | 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A. | Deposit date: | 2015-07-22 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors Rsc Adv, 5, 2015
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5M44
| Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under high-salt conditions | Descriptor: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | Deposit date: | 2016-10-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals, 10, 2017
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3NGA
| Human CK2 catalytic domain in complex with CX-4945 | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Ferguson, A.D. | Deposit date: | 2010-06-11 | Release date: | 2010-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural basis of CX-4945 binding to human protein kinase CK2. Febs Lett., 585, 2011
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6YUM
| CK2 alpha bound to unclosed Macrocycle | Descriptor: | 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Hanke, T, Kurz, C, Celik, I, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-27 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor. Eur.J.Med.Chem., 208, 2020
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8BGC
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003) | Descriptor: | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-10-27 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2. Acs Med.Chem.Lett., 14, 2023
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3U87
| Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Raaf, J, Issinger, O.-G, Olsen, B. | Deposit date: | 2011-10-16 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias. Acta Crystallogr.,Sect.D, 68, 2012
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3WIL
| Crystal structure of the CK2alpha/compound3 complex | Descriptor: | Casein kinase II subunit alpha, {[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid | Authors: | Kinoshita, T, Nakanishi, I. | Deposit date: | 2013-09-18 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening To be Published
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4UBA
| Low-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) | Descriptor: | 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, Casein kinase II subunit alpha | Authors: | Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G. | Deposit date: | 2014-08-12 | Release date: | 2015-07-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.995 Å) | Cite: | A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures. Acs Chem.Biol., 10, 2015
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4DGL
| Crystal Structure of the CK2 Tetrameric Holoenzyme | Descriptor: | Casein kinase II subunit alpha, Casein kinase II subunit beta, ZINC ION | Authors: | Lolli, G, Battistutta, R. | Deposit date: | 2012-01-26 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural determinants of protein kinase CK2 regulation by autoinhibitory polymerization. Acs Chem.Biol., 7, 2012
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9EQ1
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-20 | Release date: | 2024-05-01 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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4MD7
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1JWH
| Crystal Structure of Human Protein Kinase CK2 Holoenzyme | Descriptor: | Casein kinase II beta chain, Casein kinase II, alpha chain, ... | Authors: | Niefind, K, Guerra, B, Ermakowa, I, Issinger, O.G. | Deposit date: | 2001-09-04 | Release date: | 2002-03-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of human protein kinase CK2: insights into basic properties of the CK2 holoenzyme. EMBO J., 20, 2001
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