3KF7: Crystal Structure of Human p38alpha Complexed With a Triazolopyrimidine compound

The structure based drug design, synthesis and structure-activity relationship of a series of C6 sulfur linked triazolopyridine based p38 inhibitors are described. The metabolic deficiencies of this series were overcome through changes in the C6 linker from sulfur to methylene, which was predicted by molecular modeling to be bioisosteric. X-ray of the ethylene linked compound 61 confirmed the predicted binding orientation of the scaffold in the p38 enzyme.
PDB ID: 3KF7Download
MMDB ID: 79084
PDB Deposition Date: 2009/10/27
Updated in MMDB: 2009/12
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 3KF7: monomeric; determined by author and by software (PISA)
Molecular Components in 3KF7
Label Count Molecule
Protein (1 molecule)
Mitogen-activated Protein Kinase 14(Gene symbol: MAPK14)
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB