3K3J: P38alpha Bound to Novel Dfg-out Compound Pf-00416121

Citation:
Abstract
The design, synthesis and utility of fluorescence probes that bind to the DFG-out conformation of p38alpha kinase are described. Probes that demonstrate good affinity for p38alpha, have been identified and one of the probes, PF-04438255, has been successfully used in an high throughput screening (HTS) assay to identify two novel non-classical p38alpha inhibitors. In addition, a cascade activity assay was utilized to validate the selective binding of these non-classical kinase inhibitors to the unactive form of the enzyme.
PDB ID: 3K3JDownload
MMDB ID: 78050
PDB Deposition Date: 2009/10/2
Updated in MMDB: 2012/11 
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 3K3J: monomeric; determined by author and by software (PISA)
Molecular Components in 3K3J
Label Count Molecule
Protein (1 molecule)
1
Mitogen-activated Protein Kinase 14
Molecule annotation
Chemicals (2 molecules)
1
1
2
1
* Click molecule labels to explore molecular sequence information.

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