5OD7

Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time

Summary for 5OD7

Entry DOI	10.2210/pdb5od7/pdb
Descriptor	Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone (3 entities in total)
Functional Keywords	heat-shock protein complex, hsp90, atpase, pyrazole, chaperone, atp-binding, heat shock, nucleotide-binding, phosphorylation
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	26242.45
Authors	Schuetz, D.A.,Richter, L.,Amaral, M.,Grandits, M.,Musil, D.,Graedler, U.,Buchstaller, H.-P.,Eggenweiler, H.-M.,Frech, M.,Ecker, G.F.,Lehmann, M. (deposition date: 2017-07-04, release date: 2018-11-21, Last modification date: 2019-06-05)
Primary citation	Schuetz, D.A.,Richter, L.,Amaral, M.,Grandits, M.,Gradler, U.,Musil, D.,Buchstaller, H.P.,Eggenweiler, H.M.,Frech, M.,Ecker, G.F. Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J.Med.Chem., 61:4397-4411, 2018 Cited by PubMed: 29701469 DOI: 10.1021/acs.jmedchem.8b00080 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation