2XCH: Crystal Structure Of Pdk1 In Complex With A Pyrazoloquinazoline Inhibitor

Citation:
Abstract
In this Letter is described the structure-based design of potent dihydro-pyrazoloquinazolines as PDK1 inhibitors. Starting from low potency HTS hits with the aid of X-ray crystallography and modeling, a medicinal chemistry activity was carried out to improve potency versus PDK1 and selectivity versus CDK2 protein kinase.
PDB ID: 2XCHDownload
MMDB ID: 83587
PDB Deposition Date: 2010/4/23
Updated in MMDB: 2010/07
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 2XCH: dimeric; determined by software (PISA)
Molecular Components in 2XCH
Label Count Molecule
Proteins (2 molecules)
2
3-phosphoinositide Dependent Protein Kinase 1(Gene symbol: PDPK1)
Molecule annotation
Chemicals (25 molecules)
1
2
2
12
3
11
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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