9EZG

Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

This is a non-PDB format compatible entry.

Summary for 9EZG

• Entry DOI: 10.2210/pdb9ezg/pdb
• Descriptor: Casein kinase II subunit alpha, SULFATE ION, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... (5 entities in total)
• Functional Keywords: ck2, kinase, inhibitor, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 83238.11

Authors

Kraemer, A.,Ong, H.W.,Yang, X.,Brown, J.W.,Chang, E.,Willson, T.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2024-04-12, release date: 2024-07-31)

• Primary citation: Ong, H.W.,Yang, X.,Smith, J.L.,Dickmander, R.J.,Brown, J.W.,Havener, T.M.,Taft-Benz, S.,Howell, S.,Sanders, M.K.,Capener, J.L.,Counago, R.M.,Chang, E.,Kramer, A.,Moorman, N.J.,Heise, M.,Axtman, A.D.,Drewry, D.H.,Willson, T.M.; More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.; J.Med.Chem., 2024; PubMed: 38959455; DOI: 10.1021/acs.jmedchem.4c00962

Experimental method

X-RAY DIFFRACTION (2.18 Å)