3DB8

Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 041

Summary for 3DB8

• Entry DOI: 10.2210/pdb3db8/pdb
• Related: 3d5w 3db6 3dbc 3dbd 3dbe 3dbf
• Descriptor: Polo-like kinase 1, 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol (2 entities in total)
• Functional Keywords: polo-like kinase 1, plk1, catalytic domain, small-molecule inhibitor, kinase, transferase
• Biological source: Danio rerio (zebra fish)
• Total number of polymer chains: 1
• Total formula weight: 36400.85

Authors

Elling, R.A.,Hanan, E.J.,Lew, W.,Romanowski, M.J. (deposition date: 2008-05-30, release date: 2008-10-07, Last modification date: 2023-08-30)

Primary citation

Hanan, E.J.,Fucini, R.V.,Romanowski, M.J.,Elling, R.A.,Lew, W.,Purkey, H.E.,VanderPorten, E.C.,Yang, W.
Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors.
Bioorg.Med.Chem.Lett., 18:5186-5189, 2008

PubMed Abstract: A series of 2-amino-isoxazolopyridines was designed and synthesized as Polo-like kinase (Plk) inhibitors. Key SAR and crystallographic data are discussed. More advanced analogues inhibit Plk1 with good enzymatic activity and modest cell-based activity. Differential selectivity among the three Plk isoforms is observed.

PubMed: 18790636
DOI: 10.1016/j.bmcl.2008.08.091

Experimental method

X-RAY DIFFRACTION (3.15 Å)