4FJZ: Crystal Structure Of Pi3k-Gamma In Complex With Pyrrolo-Pyridine Inhibitor 63

Citation:
Abstract
Structure-based rational design led to the synthesis of a novel series of potent PI3K inhibitors. The optimized pyrrolopyridine analogue 63 was a potent and selective PI3Kbeta/delta dual inhibitor that displayed suitable physicochemical properties and pharmacokinetic profile for animal studies. Analogue 63 was found to be efficacious in animal models of inflammation including a keyhole limpet hemocyanin (KLH) study and a collagen-induced arthritis (CIA) disease model of rheumatoid arthritis. These studies highlight the potential therapeutic value of inhibiting both the PI3Kbeta and delta isoforms in the treatment of a number of inflammatory diseases.
PDB ID: 4FJZDownload
MMDB ID: 104252
PDB Deposition Date: 2012/6/12
Updated in MMDB: 2012/10
Experimental Method:
x-ray diffraction
Resolution: 3  Å
Source Organism:
Similar Structures:
Biological Unit for 4FJZ: monomeric; determined by author and by software (PISA)
Molecular Components in 4FJZ
Label Count Molecule
Protein (1 molecule)
1
Phosphatidylinositol 4,5-bisphosphate 3-kinase Catalytic Subunit Gamma Isoform(Gene symbol: PIK3CG)
Molecule annotation
Chemicals (5 molecules)
1
4
2
1
* Click molecule labels to explore molecular sequence information.

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