4QT1: Jak3 Kinase Domain In Complex With 1-[(3s)-1-isobutylsulfonyl-3- Piperidyl]-3-(5h-pyrrolo[2,3-b]pyrazin-2-yl)urea

The discovery of a novel series of pyrrolopyrazines as JAK inhibitors with comparable enzyme and cellular activity to tofacitinib is described. The series was identified using a scaffold hopping approach aided by structure based drug design using principles of intramolecular hydrogen bonding for conformational restriction and targeting specific pockets for modulating kinase activity.
PDB ID: 4QT1Download
MMDB ID: 129559
PDB Deposition Date: 2014/7/7
Updated in MMDB: 2015/05
Experimental Method:
x-ray diffraction
Resolution: 2.4  Å
Source Organism:
Similar Structures:
Biological Unit for 4QT1: monomeric; determined by author and by software (PISA)
Molecular Components in 4QT1
Label Count Molecule
Protein (1 molecule)
Tyrosine-protein Kinase Jak3(Gene symbol: JAK3)
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB