4MBJ: Human B-raf Kinase Domain In Complex With An Imidazopyridine-based Inhibitor

Citation:
Abstract
This Letter details the synthesis and evaluation of imidazo[4,5-b]pyridines as inhibitors of B-Raf kinase. These compounds bind in a DFG-in, alphaC-helix out conformation of B-Raf, which is a binding mode associated with significant kinase selectivity. Structure-activity relationship studies involved optimization of the ATP-cleft binding region of these molecules, and led to compound 23, an inhibitor with excellent enzyme/cell potency, and kinase selectivity.
PDB ID: 4MBJDownload
MMDB ID: 114059
PDB Deposition Date: 2013/8/19
Updated in MMDB: 2013/11
Experimental Method:
x-ray diffraction
Resolution: 3.6  Å
Source Organism:
Similar Structures:
Biological Unit for 4MBJ: dimeric; determined by author and by software (PISA)
Molecular Components in 4MBJ
Label Count Molecule
Proteins (2 molecules)
2
Serine/threonine-protein Kinase B-raf(Gene symbol: BRAF)
Molecule annotation
Chemicals (2 molecules)
1
2
* Click molecule labels to explore molecular sequence information.

Citing MMDB
.