3RPS
| Structure of human CK2alpha in complex with the ATP-competitive inhibitor 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol | 分子名称: | 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, CHLORIDE ION, Casein kinase II subunit alpha, ... | 著者 | Bischoff, N, Raaf, J, Olsen, B, Bretner, M, Issinger, O.-G, Niefind, K. | 登録日 | 2011-04-27 | 公開日 | 2011-06-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Enzymatic activity with an incomplete catalytic spine - insights from a comparative structural analysis of human CK2alpha and its paralogous isoform CK2alpha' Mol.Cell.Biochem., 356, 2011
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3OFM
| Structure of a human CK2alpha prime, the paralog isoform of the catalytic subunit of protein kinase CK2 from Homo sapiens | 分子名称: | 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, CHLORIDE ION, Casein kinase II subunit alpha' | 著者 | Bischoff, N, Olsen, B, Raaf, J, Bretner, M, Issinger, O.-G, Niefind, K. | 登録日 | 2010-08-15 | 公開日 | 2011-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of the reduced affinity between the protein kinase CK2 subunits CK2alpha prime and CK2beta J.Mol.Biol., 407, 2011
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5M56
| Monoclinic complex structure of human protein kinase CK2 catalytic subunit (isoform CK2alpha') with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) | 分子名称: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha', ... | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | 登録日 | 2016-10-20 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.237 Å) | 主引用文献 | 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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5M44
| Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under high-salt conditions | 分子名称: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | 登録日 | 2016-10-18 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | 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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4FBX
| Complex structure of human protein kinase CK2 catalytic subunit crystallized in the presence of a bisubstrate inhibitor | 分子名称: | CHLORIDE ION, Casein kinase II subunit alpha, bisubstrate inhibitor | 著者 | Enkvist, E, Viht, K, Bischoff, N, Vahter, J, Saaver, S, Raidaru, G, Issinger, O.-G, Niefind, K, Uri, A. | 登録日 | 2012-05-23 | 公開日 | 2012-10-17 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | A subnanomolar fluorescent probe for protein kinase CK2 interaction studies. Org.Biomol.Chem., 10, 2012
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5M4U
| ORTHORHOMBIC COMPLEX STRUCTURE OF HUMAN PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') WITH THE INHIBITOR 4'-CARBOXY-6,8-CHLORO- FLAVONOL (FLC21) | 分子名称: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, ACETATE ION, CHLORIDE ION, ... | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | 登録日 | 2016-10-19 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | 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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5M4F
| Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under low-salt conditions | 分子名称: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha, ... | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | 登録日 | 2016-10-18 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.519 Å) | 主引用文献 | 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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5M4I
| Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under high-salt conditions | 分子名称: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | 登録日 | 2016-10-18 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.218 Å) | 主引用文献 | 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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5M4C
| Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under low-salt conditions | 分子名称: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha, ... | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | 登録日 | 2016-10-18 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.935 Å) | 主引用文献 | 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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4UB7
| 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
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4UBA
| Low-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) | 分子名称: | 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, 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 (2.995 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
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2F47
| Xray crystal structure of T4 lysozyme mutant L20/R63A liganded to methylguanidinium | 分子名称: | 1-METHYLGUANIDINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Yousef, M.S, Bischoff, N, Dyer, C.M, Baase, W.A, Matthews, B.W. | 登録日 | 2005-11-22 | 公開日 | 2006-04-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Guanidinium derivatives bind preferentially and trigger long-distance conformational changes in an engineered T4 lysozyme. Protein Sci., 15, 2006
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2F2Q
| High resolution crystal structure of T4 lysozyme mutant L20R63/A liganded to guanidinium ion | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, GUANIDINE, ... | 著者 | Yousef, M.S, Bischoff, N, Dyer, C.M, Baase, W.A, Matthews, B.W. | 登録日 | 2005-11-17 | 公開日 | 2006-04-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Guanidinium derivatives bind preferentially and trigger long-distance conformational changes in an engineered T4 lysozyme. Protein Sci., 15, 2006
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2F32
| Xray crystal structure of lysozyme mutant L20/R63A liganded to ethylguanidinium | 分子名称: | BETA-MERCAPTOETHANOL, Lysozyme, N-ETHYLGUANIDINE | 著者 | Yousef, M.S, Bischoff, N, Dyer, C.M, Baase, W.A, Matthews, B.W. | 登録日 | 2005-11-18 | 公開日 | 2006-04-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Guanidinium derivatives bind preferentially and trigger long-distance conformational changes in an engineered T4 lysozyme. Protein Sci., 15, 2006
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3U87
| Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue | 分子名称: | CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ... | 著者 | Niefind, K, Raaf, J, Issinger, O.-G, Olsen, B. | 登録日 | 2011-10-16 | 公開日 | 2012-05-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | 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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5OWH
| High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | 分子名称: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha | 著者 | Niefind, K, Bretner, M, Chojnacki, C. | 登録日 | 2017-09-01 | 公開日 | 2018-07-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg. Chem., 80, 2018
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5OWL
| Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | 分子名称: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... | 著者 | Niefind, K, Bretner, M, Chojnacki, C. | 登録日 | 2017-09-01 | 公開日 | 2018-07-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg. Chem., 80, 2018
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8QCD
| STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE | 分子名称: | 1,2-ETHANEDIOL, 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Casein kinase II subunit alpha' | 著者 | Werner, C, Niefind, K. | 登録日 | 2023-08-25 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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6SPX
| Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502 | 分子名称: | 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid, ARC1502, Casein kinase II subunit alpha | 著者 | Niefind, K, Schnitzler, A. | 登録日 | 2019-09-03 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | 主引用文献 | Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2. Bioorg.Chem., 96, 2020
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6SPW
| Structure of protein kinase CK2 catalytic subunit with the CK2beta-competitive bisubstrate inhibitor ARC3140 | 分子名称: | 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid, ARC3140, Casein kinase II subunit alpha, ... | 著者 | Niefind, K, Schnitzler, A. | 登録日 | 2019-09-03 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2. Bioorg.Chem., 96, 2020
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5N9L
| Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive dibenzofuran inhibitor TF (4b) | 分子名称: | (4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J. | 登録日 | 2017-02-25 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors. Pharmaceuticals, 11, 2018
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5N9K
| Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive, tight-binding dibenzofuran inhibitor TF107 (5) | 分子名称: | 1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J. | 登録日 | 2017-02-25 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.643 Å) | 主引用文献 | A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors. Pharmaceuticals, 11, 2018
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5N9N
| Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive, tight-binding dibenzofuran inhibitor TF85 (4a) | 分子名称: | (4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J. | 登録日 | 2017-02-25 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | 主引用文献 | A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors. Pharmaceuticals, 11, 2018
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5OOI
| STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P | 分子名称: | 1,2-ETHANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, ACETATE 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 | 2017-08-07 | 公開日 | 2017-12-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.998 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
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