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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.

Niefind K, Bischoff N, Golub AG, Bdzhola VG, Balanda AO, Prykhod'ko AO, Yarmoluk SM
Pharmaceuticals (Basel) 10 (2017)
Related entries: 4ub7, 4uba, 5m44, 5m4c, 5m4f, 5m4i, 5m4u

Cited: 8 times
EuropePMC logo PMID: 28085026

Abstract

Protein kinase CK2 is associated with a number of human diseases, among them cancer, and is therefore a target for inhibitor development in industry and academia. Six crystal structures of either CK2α, the catalytic subunit of human protein kinase CK2, or its paralog CK2α' in complex with two ATP-competitive inhibitors-based on either a flavonol or a thieno[2,3-d]pyrimidine framework-are presented. The structures show examples for extreme structural deformations of the ATP-binding loop and its neighbourhood and of the hinge/helix αD region, i.e., of two zones of the broader ATP site environment. Thus, they supplement our picture of the conformational space available for CK2α and CK2α'. Further, they document the potential of synthetic ligands to trap unusual conformations of the enzymes and allow to envision a new generation of inhibitors that stabilize such conformations.

Articles - 5m56 mentioned but not cited (3)

  1. 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. Niefind K, Bischoff N, Golub AG, Bdzhola VG, Balanda AO, Prykhod'ko AO, Yarmoluk SM. Pharmaceuticals (Basel) 10 E9 (2017)
  2. A Network Pharmacology-Based Approach to Investigate the Novel TCM Formula against Huntington's Disease and Validated by Support Vector Machine Model. Dai W, Chen HY, Chen CY. Evid Based Complement Alternat Med 2018 6020197 (2018)
  3. 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 CK2α and Its Paralog CK2α'. Hochscherf J, Lindenblatt D, Witulski B, Birus R, Aichele D, Marminon C, Bouaziz Z, Le Borgne M, Jose J, Niefind K. Pharmaceuticals (Basel) 10 E98 (2017)


Articles citing this publication (5)

  1. Conformational dynamics of human protein kinase CK2α and its effect on function and inhibition. Srivastava A, Hirota T, Irle S, Tama F. Proteins 86 344-353 (2018)
  2. Diacritic Binding of an Indenoindole Inhibitor by CK2α Paralogs Explored by a Reliable Path to Atomic Resolution CK2α' Structures. Lindenblatt D, Nickelsen A, Applegate VM, Hochscherf J, Witulski B, Bouaziz Z, Marminon C, Bretner M, Le Borgne M, Jose J, Niefind K. ACS Omega 4 5471-5478 (2019)
  3. Proposed Allosteric Inhibitors Bind to the ATP Site of CK2α. Brear P, Ball D, Stott K, D'Arcy S, Hyvönen M. J Med Chem 63 12786-12798 (2020)
  4. Editorial An Updated View on an Emerging Target: Selected Papers from the 8th International Conference on Protein Kinase CK2. Jose J, Le-Borgne M, Pinna LA, Montenarh M. Pharmaceuticals (Basel) 10 E33 (2017)
  5. Crystal structure of Arabidopsis thaliana casein kinase 2 α1. Demulder M, De Veylder L, Loris R. Acta Crystallogr F Struct Biol Commun 76 182-191 (2020)


Related citations provided by authors (3)

  1. A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2α Complex Structures.. Guerra B, Bischoff N, Bdzhola VG, Yarmoluk SM, Issinger OG, Golub AG, Niefind K ACS Chem Biol 10 1654-60 (2015)
  2. Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2.. Golub AG, Bdzhola VG, Briukhovetska NV, Balanda AO, Kukharenko OP, Kotey IM, Ostrynska OV, Yarmoluk SM Eur J Med Chem 46 870-6 (2011)
  3. Structure-based discovery of novel flavonol inhibitors of human protein kinase CK2.. Golub AG, Bdzhola VG, Kyshenia YV, Sapelkin VM, Prykhod'ko AO, Kukharenko OP, Ostrynska OV, Yarmoluk SM Mol Cell Biochem 356 107-15 (2011)

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