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5OSU

The crystal structure of CK2alpha in complex with analogues of compound 1

Summary for 5OSU
Entry DOI10.2210/pdb5osu/pdb
DescriptorCasein kinase II subunit alpha, ACETATE ION, [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine, ... (4 entities in total)
Functional Keywordsck2alpha, ck2a, fragment based drug discovery, high concentration screening, selective atp competitive inhibitors, surface entrophy reduction, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight41161.16
Authors
Brear, P.,De Fusco, C.,Iegre, J.,Yoshida, M.,Mitchell, S.,Rossmann, M.,Carro, L.,Sore, H.,Hyvonen, M.,Spring, D. (deposition date: 2017-08-18, release date: 2018-09-05, Last modification date: 2024-01-17)
Primary citationIegre, 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: 29732088
DOI: 10.1039/c7sc05122k
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.63 Å)
Structure validation

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