3N51

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor RM-1-95

Summary for 3N51

• Entry DOI: 10.2210/pdb3n51/pdb
• Related: 3I79 3I7B 3I7C 3MWU 3NCG
• Descriptor: Calmodulin-domain protein kinase 1, 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, ... (5 entities in total)
• Functional Keywords: serine/threonine protein kinase, transferase, calcium-binding, atp-binding, calmodulin, bumped kinase inhibitor, structural genomics, medical structural genomics of pathogenic protozoa, msgpp, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Toxoplasma gondii
• Total number of polymer chains: 1
• Total formula weight: 55739.58

Authors

Larson, E.T.,Merritt, E.A.,Medical Structural Genomics of Pathogenic Protozoa (MSGPP) (deposition date: 2010-05-24, release date: 2010-07-21, Last modification date: 2023-09-06)

• Primary citation: Murphy, R.C.,Ojo, K.K.,Larson, E.T.,Castellanos-Gonzalez, A.,Perera, B.G.,Keyloun, K.R.,Kim, J.E.,Bhandari, J.G.,Muller, N.R.,Verlinde, C.L.,White, A.C.,Merritt, E.A.,Van Voorhis, W.C.,Maly, D.J.; Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.; ACS Med Chem Lett, 1:331-335, 2010; PubMed: 21116453; DOI: 10.1021/ml100096t

Experimental method

X-RAY DIFFRACTION (2.1 Å)