3OW6

Crystal Structure of HSP90 with N-Aryl-benzimidazolone I

Summary for 3OW6

Entry DOI	10.2210/pdb3ow6/pdb
Related	3OWB 3OWD
Descriptor	Heat shock protein HSP 90-alpha, 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one (3 entities in total)
Functional Keywords	hsp90, chaperone
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P07900
Total number of polymer chains	1
Total formula weight	23390.48
Authors	Park, C.H. (deposition date: 2010-09-17, release date: 2011-09-21, Last modification date: 2024-02-21)
Primary citation	Bruncko, M.,Tahir, S.K.,Song, X.,Chen, J.,Ding, H.,Huth, J.R.,Jin, S.,Judge, R.A.,Madar, D.J.,Park, C.H.,Park, C.M.,Petros, A.M.,Tse, C.,Rosenberg, S.H.,Elmore, S.W. N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg.Med.Chem.Lett., 20:7503-7506, 2010 Cited by PubMed Abstract: 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. PubMed: 21106457 DOI: 10.1016/j.bmcl.2010.10.010 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation