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PDB: 254 件
6HNW
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Human protein kinase CK2 alpha in complex with coumestrol
分子名称: Casein kinase II subunit alpha, Coumestrol, SULFATE ION
著者Battistutta, R, Lolli, G.
登録日2018-09-17
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility.
J.Nat.Prod., 82, 2019
5ONI
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LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
分子名称: 1,4-BUTANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ...
著者Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K.
登録日2017-08-03
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
5NQC
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CK2alpha in complex with NMR154
分子名称: (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Casein kinase II subunit alpha
著者Seetoh, W.-G, Stubbs, C.J.
登録日2017-04-19
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Disrupting the CK2alpha-CK2beta protein-protein interaction within the protein kinase CK2 heterotetramer using a fragment-based approach
To Be Published
5MMR
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BU of 5mmr by Molmil
Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound
分子名称: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-12
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5H8G
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Crystal structure of CK2 with compound 7b
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Ferguson, A.D.
登録日2015-12-23
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
5OSZ
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The crystal structure of CK2alpha in complex with compound 23
分子名称: 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-18
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5CT0
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BU of 5ct0 by Molmil
Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound
分子名称: 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5OUE
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BU of 5oue by Molmil
The crystal structure of CK2alpha in complex with compound 20
分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium, 3-methyl-5-oxidanyl-benzoic acid, ACETATE ION, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-23
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
7A49
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Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine
分子名称: 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, SULFATE ION
著者Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
登録日2020-08-19
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
5CTP
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Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound
分子名称: ACETATE ION, Casein kinase II subunit alpha, N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.033 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MO5
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BU of 5mo5 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-13
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
8C6N
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Human protein kinase CK2 alpha in complex with CK2-TN03
分子名称: (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one, Casein kinase II subunit alpha, SULFATE ION
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2023-01-12
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma
to be published
6RCB
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BU of 6rcb by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 14
分子名称: (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, Casein kinase II subunit alpha, SULFATE ION
著者Dalle Vedove, A, Lolli, G.
登録日2019-04-11
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
5HGV
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Structure of an O-GlcNAc transferase point mutant, D554N in complex with peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, TYR-PRO-GLY-GLY-SER-THR-PRO-VAL-SER-SER-ALA-ASN-MET-MET, ...
著者Janetzko, J, Lazarus, M.B, Walker, S.
登録日2016-01-08
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献How the glycosyltransferase OGT catalyzes amide bond cleavage.
Nat.Chem.Biol., 12, 2016
5OUM
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The crystal structure of CK2alpha in complex with compound 21
分子名称: ACETATE ION, Casein kinase II subunit alpha, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-24
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
6L21
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Crystal structure of CK2a1 H160A with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05451775 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
7A4B
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Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine
分子名称: 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ...
著者Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
登録日2020-08-19
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
5MOD
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BU of 5mod by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: (3-chloranyl-4-propan-2-yloxy-phenyl)methanamine, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MOT
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Crystal structure of CK2alpha with ZT0627 bound
分子名称: 4-HYDROXYBENZAMIDE, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
4UB7
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High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond
分子名称: 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha
著者Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G.
登録日2014-08-12
公開日2015-07-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
6QY7
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Human CSNK2A1 bound to ERB-041
分子名称: 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, CHLORIDE ION, Casein kinase II subunit alpha
著者Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
登録日2019-03-08
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CSNK2A1 bound to ERB-041
To Be Published
3OWL
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BU of 3owl by Molmil
Human CK2 catalytic domain in complex with a benzopyridoindole derivative inhibitor
分子名称: 11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol, CSNK2A1 protein, SULFATE ION
著者Reiser, J.-B, Prudent, R, Cochet, C.
登録日2010-09-20
公開日2010-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2.
Cancer Res., 70, 2010
5T1H
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Crystal structure of CK2
分子名称: 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ...
著者Feguson, A.D.
登録日2016-08-19
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of CK2
To Be Published
5KWH
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Crystal structure of CK2
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Ferguson, A.D.
登録日2016-07-18
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of CK2
To Be Published
6L22
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Crystal structure of CK2a1 H115Y with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.12318087 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020

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