3HP2: Crystal Structure of Human p38alpha complexed with a pyridinone compound

Citation:
Abstract
The identification and evolution of a series of potent and selective p38 inhibitors is described. p38 inhibitors based on a N-benzyl pyridinone high-throughput screening hit were prepared and their SAR explored. Their design was guided by ligand bound co-crystals of p38alpha. These efforts resulted in the identification of 12r and 19 as orally active inhibitors of p38 with significant efficacy in both acute and chronic models of inflammation.
PDB ID: 3HP2Download
MMDB ID: 77039
PDB Deposition Date: 2009/6/3
Updated in MMDB: 2012/12
Experimental Method:
x-ray diffraction
Resolution: 2.15  Å
Source Organism:
Similar Structures:
Biological Unit for 3HP2: monomeric; determined by author and by software (PISA)
Molecular Components in 3HP2
Label Count Molecule
Protein (1 molecule)
1
Mitogen-activated Protein Kinase 14(Gene symbol: MAPK14)
Molecule annotation
Chemicals (3 molecules)
1
1
2
2
* Click molecule labels to explore molecular sequence information.

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