3TTJ: Crystal Structure of Jnk3 Complexed With Cc-359, a JNK Inhibitor for the Prevention of Ischemia-reperfusion Injury

In this Letter we describe the optimization of an aminopurine lead (1) with modest potency and poor overall kinase selectivity which led to the identification of a series of potent, selective JNK inhibitors. Improvement in kinase selectivity was enabled by introduction of an aliphatic side chain at the C-2 position. CC-359 (2) was selected as a potential clinical candidate for diseases manifested by ischemia reperfusion injury.
PDB ID: 3TTJDownload
MMDB ID: 96719
PDB Deposition Date: 2011/9/14
Updated in MMDB: 2012/02 
Experimental Method:
x-ray diffraction
Resolution: 2.1  Å
Source Organism:
Similar Structures:
Biological Unit: monomeric; determined by author, and by software (PISA)
Molecular Components
Label Count Molecule
Protein (1 molecule)
Mitogen-activated Protein Kinase 10
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB