5AK0: Human Pfkfb3 In Complex With An Indole Inhibitor 6

Citation:
Abstract
A weak screening hit with suboptimal physicochemical properties was optimized against PFKFB3 kinase using critical structure-guided insights. The resulting compounds demonstrated high selectivity over related PFKFB isoforms and modulation of the target in a cellular context. A selected example demonstrated exposure in animals following oral dosing. Examples from this series may serve as useful probes to understand the emerging biology of this metabolic target.
PDB ID: 5AK0Download
MMDB ID: 128822
PDB Deposition Date: 2015/2/27
Updated in MMDB: 2015/05
Experimental Method:
x-ray diffraction
Resolution: 2.03  Å
Source Organism:
Similar Structures:
Biological Unit for 5AK0: dimeric; determined by author and by software (PISA)
Molecular Components in 5AK0
Label Count Molecule
Proteins (2 molecules)
2
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3(Gene symbol: PFKFB3)
Molecule annotation
Chemicals (10 molecules)
1
2
2
4
3
2
4
2
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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