4YJN

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639

Summary for 4YJN

• Entry DOI: 10.2210/pdb4yjn/pdb
• Related: 4ONA
• Descriptor: Calmodulin-domain protein kinase 1, 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-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: 55606.37

Authors

Merritt, E.A. (deposition date: 2015-03-03, release date: 2015-11-25, Last modification date: 2023-09-27)

• Primary citation: Huang, W.,Ojo, K.K.,Zhang, Z.,Rivas, K.,Vidadala, R.S.,Scheele, S.,DeRocher, A.E.,Choi, R.,Hulverson, M.A.,Barrett, L.K.,Bruzual, I.,Siddaramaiah, L.K.,Kerchner, K.M.,Kurnick, M.D.,Freiberg, G.M.,Kempf, D.,Hol, W.G.,Merritt, E.A.,Neckermann, G.,de Hostos, E.L.,Isoherranen, N.,Maly, D.J.,Parsons, M.,Doggett, J.S.,Van Voorhis, W.C.,Fan, E.; SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.; Acs Med.Chem.Lett., 6:1184-1189, 2015; PubMed: 26693272; DOI: 10.1021/acsmedchemlett.5b00319

Experimental method

X-RAY DIFFRACTION (2.6 Å)