5OTS
The crystal structure of CK2alpha in complex with an analogue of compound 22
Summary for 5OTS
Entry DOI | 10.2210/pdb5ots/pdb |
Descriptor | Casein kinase II subunit alpha, 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium (3 entities in total) |
Functional Keywords | ck2alpha, ck2a, fragment based drug discovery, high concentration screening, selective atp competitive inhibitors, surface entrophy reduction, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 41978.36 |
Authors | Brear, P.,De Fusco, C.,Iegre, J.,Yoshida, M.,Mitchell, S.,Rossmann, M.,Carro, L.,Sore, H.,Hyvonen, M.,Spring, D. (deposition date: 2017-08-22, release date: 2018-09-05, Last modification date: 2024-01-17) |
Primary citation | Iegre, J.,Brear, P.,De Fusco, C.,Yoshida, M.,Mitchell, S.L.,Rossmann, M.,Carro, L.,Sore, H.F.,Hyvonen, M.,Spring, D.R. Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9:3041-3049, 2018 Cited by PubMed: 29732088DOI: 10.1039/c7sc05122k PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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