3ow6

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3ow6, resolution 1.80Å ()
Ligands:
Gene: HSP90AA1, HSP90A, HSPC1, HSPCA (Homo sapiens)
Related: 3owb, 3owd


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Contents

Crystal Structure of HSP90 with N-Aryl-benzimidazolone I

Publication Abstract from PubMed

We describe the development of a novel series of N-aryl-benzimidazolone HSP90 inhibitors (9) targeting the N-terminal ATP-ase site. SAR development was influenced by structure-based design based around X-ray structures of ligand bound HSP90 complexes. Lead compounds exhibited high binding affinities, ATP-ase inhibition and cellular client protein degradation.

N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors., Bruncko M, Tahir SK, Song X, Chen J, Ding H, Huth JR, Jin S, Judge RA, Madar DJ, Park CH, Park CM, Petros AM, Tse C, Rosenberg SH, Elmore SW, Bioorg Med Chem Lett. 2010 Dec 15;20(24):7503-6. Epub 2010 Oct 12. PMID:21106457

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

About this Structure

3ow6 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.

See Also

Reference

  • Bruncko M, Tahir SK, Song X, Chen J, Ding H, Huth JR, Jin S, Judge RA, Madar DJ, Park CH, Park CM, Petros AM, Tse C, Rosenberg SH, Elmore SW. N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7503-6. Epub 2010 Oct 12. PMID:21106457 doi:10.1016/j.bmcl.2010.10.010

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