4JBV

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268

Summary for 4JBV

• Entry DOI: 10.2210/pdb4jbv/pdb
• Related: 3SX9 3SXF 3T3V 3UPX 3UPZ 3V51
• Descriptor: Calmodulin-domain protein kinase 1, 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (3 entities in total)
• Functional Keywords: serine/threonine protein kinase, transferase, calcium-binding, atp-binding, bumped kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Toxoplasma gondii
• Total number of polymer chains: 1
• Total formula weight: 55671.49

Authors

Merritt, E.A.,Larson, E.T. (deposition date: 2013-02-20, release date: 2014-03-19, Last modification date: 2024-02-28)

• Primary citation: Vidadala, R.S.,Ojo, K.K.,Johnson, S.M.,Zhang, Z.,Leonard, S.E.,Mitra, A.,Choi, R.,Reid, M.C.,Keyloun, K.R.,Fox, A.M.,Kennedy, M.,Silver-Brace, T.,Hume, J.C.,Kappe, S.,Verlinde, C.L.,Fan, E.,Merritt, E.A.,Van Voorhis, W.C.,Maly, D.J.; Development of potent and selective Plasmodium falciparum calcium-dependent protein kinase 4 (PfCDPK4) inhibitors that block the transmission of malaria to mosquitoes.; Eur.J.Med.Chem., 74:562-573, 2014; PubMed: 24531197; DOI: 10.1016/j.ejmech.2013.12.048

Experimental method

X-RAY DIFFRACTION (1.95 Å)