3dbe

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Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 557

Structural highlights

3dbe is a 1 chain structure with sequence from Danio rerio. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 3.32Å
Ligands:4FR
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q4KMI8_DANRE

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

A series of 2-amino-pyrazolopyridines was designed and synthesized as Polo-like kinase (Plk) inhibitors based on a low micromolar hit. The SAR was developed to provide compounds exhibiting low nanomolar inhibitory activity of Plk1; the phenotype of treated cells is consistent with Plk1 inhibition. A co-crystal structure of one of these compounds with zPlk1 confirms an ATP-competitive binding mode.

Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.,Fucini RV, Hanan EJ, Romanowski MJ, Elling RA, Lew W, Barr KJ, Zhu J, Yoburn JC, Liu Y, Fahr BT, Fan J, Lu Y, Pham P, Choong IC, VanderPorten EC, Bui M, Purkey HE, Evanchik MJ, Yang W Bioorg Med Chem Lett. 2008 Oct 15;18(20):5648-52. Epub 2008 Aug 29. PMID:18793847[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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Citations
2 reviews cite this structure
Plk1-targeted small molecule inhibitors: molecular basis for their potency and specificity.
Murugan et al. (2011)
1 more
6 other articles
No citations found

See Also

References

  1. ↑ Fucini RV, Hanan EJ, Romanowski MJ, Elling RA, Lew W, Barr KJ, Zhu J, Yoburn JC, Liu Y, Fahr BT, Fan J, Lu Y, Pham P, Choong IC, VanderPorten EC, Bui M, Purkey HE, Evanchik MJ, Yang W. Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors. Bioorg Med Chem Lett. 2008 Oct 15;18(20):5648-52. Epub 2008 Aug 29. PMID:18793847 doi:10.1016/j.bmcl.2008.08.095

Contents


PDB ID 3dbe

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OCA

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