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 Cited by PubMed Abstract: The protozoans Cryptosporidium parvum and Toxoplasma gondii are parasites of major health concern to humans. Both parasites contain a group of calcium-dependent protein kinases (CDPKs), which are found in plants and ciliates but not in humans or fungi. Here we describe a series of potent inhibitors that target CDPK1 in C. parvum (CpCDPK1) and T. gondii (TgCDPK1). These inhibitors are highly selective for CpCDPK1 and TgCDPK1 over the mammalian kinases SRC and ABL. Furthermore, they are able to block an early stage of C. parvum invasion of HCT-8 host cells, which is similar to their effects on T. gondii invasion of human fibroblasts. PubMed: 21116453DOI: 10.1021/ml100096t PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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