3QTF

Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity

Summary for 3QTF

• Entry DOI: 10.2210/pdb3qtf/pdb
• Descriptor: Heat shock protein HSP 90-alpha, (6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: chaperone, atp binding domain, atp-binding, nucleotide-binding, phosphoprotein, stress response, chaperone-chaperone inhibitor complex, chaperone/chaperone inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P07900
• Total number of polymer chains: 1
• Total formula weight: 25899.24

Authors

Zapf, C.W.,Bloom, J.D.,McBean, J.L.,Dushin, R.G.,Nittoli, T.,Ingalls, C.,Sutherland, A.G.,Sonye, J.P.,Eid, C.N.,Golas, J.,Liu, H.,Boschelli, F.,Hu, Y.,Vogan, E.M.,Levin, J.I. (deposition date: 2011-02-22, release date: 2011-04-06, Last modification date: 2024-02-21)

• Primary citation: Zapf, C.W.,Bloom, J.D.,McBean, J.L.,Dushin, R.G.,Nittoli, T.,Ingalls, C.,Sutherland, A.G.,Sonye, J.P.,Eid, C.N.,Golas, J.,Liu, H.,Boschelli, F.,Hu, Y.,Vogan, E.,Levin, J.I.; Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity.; Bioorg.Med.Chem.Lett., 21:2278-2282, 2011; PubMed: 21420297; DOI: 10.1016/j.bmcl.2011.02.101

Experimental method

X-RAY DIFFRACTION (1.5703 Å)