2C1B: Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline

Citation:
Abstract
Structure-based drug design of novel isoquinoline-5-sulfonamide inhibitors of PKB as potential antitumour agents was investigated. Constrained pyrrolidine analogues that mimicked the bound conformation of linear prototypes were identified and investigated by co-crystal structure determinations with the related protein PKA. Detailed variation in the binding modes between inhibitors with similar overall conformations was observed. Potent PKB inhibitors from this series inhibited GSK3beta phosphorylation in cellular assays, consistent with inhibition of PKB kinase activity in cells.
PDB ID: 2C1BDownload
MMDB ID: 36225
PDB Deposition Date: 2005/9/12
Updated in MMDB: 2005/12
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Bos taurus
Similar Structures:
Biological Unit for 2C1B: dimeric; determined by author and by software (PQS)
Molecular Components in 2C1B
Label Count Molecule
Proteins (2 molecules)
1
Camp-dependent Protein Kinase(Gene symbol: PRKACA)
Molecule annotation
1
Camp-dependent Protein Kinase Inhibitor(Gene symbol: PKIA)
Molecule annotation
Chemical (1 molecule)
1
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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