4ONA

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517

Summary for 4ONA

• Entry DOI: 10.2210/pdb4ona/pdb
• Descriptor: Calmodulin-domain protein kinase 1, 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide (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: 55580.33

Authors

Merritt, E.A. (deposition date: 2014-01-28, release date: 2014-03-19, Last modification date: 2023-09-20)

• Primary citation: Zhang, Z.,Ojo, K.K.,Vidadala, R.,Huang, W.,Geiger, J.A.,Scheele, S.,Choi, R.,Reid, M.C.,Keyloun, K.R.,Rivas, K.,Siddaramaiah, L.K.,Comess, K.M.,Robinson, K.P.,Merta, P.J.,Kifle, L.,Hol, W.G.,Parsons, M.,Merritt, E.A.,Maly, D.J.,Verlinde, C.L.,Van Voorhis, W.C.,Fan, E.; Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.; ACS Med Chem Lett, 5:40-44, 2014; PubMed: 24494061; DOI: 10.1021/ml400315s

Experimental method

X-RAY DIFFRACTION (2.4 Å)