6TEI
Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the 2-aminothiazole-type inhibitor 17
Summary for 6TEI
| Entry DOI | 10.2210/pdb6tei/pdb |
| Related | 6TE2 |
| Descriptor | Casein kinase II subunit alpha, 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, SULFATE ION, ... (4 entities in total) |
| Functional Keywords | protein kinase ck2, casein kinase 2, atp-competitive inhibitor, 2-aminothiazole derivative, transferase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 2 |
| Total formula weight | 84253.71 |
| Authors | Niefind, K.,Lindenblatt, D.,Jose, J.,Applegate, V.M.,Nickelsen, A. (deposition date: 2019-11-12, release date: 2020-07-08, Last modification date: 2024-01-24) |
| Primary citation | Lindenblatt, D.,Nickelsen, A.,Applegate, V.M.,Jose, J.,Niefind, K. Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J.Med.Chem., 63:7766-7772, 2020 Cited by PubMed Abstract: Selective inhibitors of protein kinase CK2 with significant cytotoxicity on tumor cells based on a 2-aminothiazole scaffold were described recently. Here, these studies are supplemented with representative CK2α/CK2α' complex structures. They reveal that the 2-aminothiazole-based inhibitors occupy the ATP cavity, whereas preliminary data had indicated an allosteric binding site. The crystal structure findings are corroborated by subsequent enzyme kinetic studies; their atomic-resolution quality provides the basis for future optimization of these promising CK2 inhibitors. PubMed: 32589844DOI: 10.1021/acs.jmedchem.0c00587 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.756 Å) |
Structure validation
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