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3bm9

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3bm9, resolution 1.60Å ()
Ligands:
Gene: HSP90AA1, HSP90A, HSPC1, HSPCA (Homo sapiens)
Related: 3bmy
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Contents

Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90

Publication Abstract from PubMed

Heat shock protein 90 (Hsp90) is a molecular chaperone that is responsible for activating many signaling proteins and is a promising target in tumor biology. We have identified small-molecule benzisoxazole derivatives as Hsp90 inhibitors. Crystallographic studies show that these compounds bind in the ATP binding pocket interacting with the Asp93. Structure based optimization led to the identification of potent analogues, such as 13, with good biochemical profiles.

Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90., Gopalsamy A, Shi M, Golas J, Vogan E, Jacob J, Johnson M, Lee F, Nilakantan R, Petersen R, Svenson K, Chopra R, Tam MS, Wen Y, Ellingboe J, Arndt K, Boschelli F, J Med Chem. 2008 Feb 14;51(3):373-5. Epub 2008 Jan 16. PMID:18197612

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

About this Structure

3bm9 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.

See Also

Reference

  • Gopalsamy A, Shi M, Golas J, Vogan E, Jacob J, Johnson M, Lee F, Nilakantan R, Petersen R, Svenson K, Chopra R, Tam MS, Wen Y, Ellingboe J, Arndt K, Boschelli F. Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90. J Med Chem. 2008 Feb 14;51(3):373-5. Epub 2008 Jan 16. PMID:18197612 doi:10.1021/jm701385c

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