4M84: Calcium-dependent Protein Kinase 1 From Toxoplasma Gondii (tgcdpk1) In Complex With Inhibitor Uw1455

5-Aminopyrazole-4-carboxamide was used as an alternative scaffold to substitute for the pyrazolopyrimidine of a known "bumped kinase inhibitor" to create selective inhibitors of calcium-dependent protein kinase-1 from both Toxoplasma gondii and Cryptosporidium parvum. Compounds with low nanomolar inhibitory potencies against the target enzymes were obtained. The most selective inhibitors also exhibited submicromolar activities in T. gondii cell proliferation assays and were shown to be non-toxic to mammalian cells.
PDB ID: 4M84Download
MMDB ID: 114068
PDB Deposition Date: 2013/8/12
Updated in MMDB: 2013/10
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 4M84: monomeric; determined by author and by software (PISA)
Molecular Components in 4M84
Label Count Molecule
Protein (1 molecule)
Calmodulin-domain Protein Kinase 1
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB