3TV6: Human B-raf Kinase Domain In Complex With A Methoxypyrazolopyridinyl Benzamide Inhibitor

Citation:
Abstract
The V600E mutation of B-Raf kinase results in constitutive activation of the MAPK signaling pathway and is present in approximately 7% of all cancers. Using structure-based design, a novel series of pyrazolopyridine inhibitors of B-Raf(V600E) was developed. Optimization led to the identification of 3-methoxy pyrazolopyridines 17 and 19, potent, selective, and orally bioavailable agents that inhibited tumor growth in a mouse xenograft model driven by B-Raf(V600E) with no effect on body weight. On the basis of their in vivo efficacy and preliminary safety profiles, 17 and 19 were selected for further preclinical evaluation.
PDB ID: 3TV6Download
MMDB ID: 94107
PDB Deposition Date: 2011/9/19
Updated in MMDB: 2014/10
Experimental Method:
x-ray diffraction
Resolution: 3.3  Å
Source Organism:
Similar Structures:
Biological Unit for 3TV6: monomeric; determined by author and by software (PISA)
Molecular Components in 3TV6
Label Count Molecule
Protein (1 molecule)
1
Serine/threonine-protein Kinase B-raf(Gene symbol: BRAF)
Molecule annotation
Chemical (1 molecule)
1
1
* Click molecule labels to explore molecular sequence information.

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