4O05

Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease

Summary for 4O05

Entry DOI	10.2210/pdb4o05/pdb
Related	4O04 4O06 4O09 4O0B
Descriptor	Heat shock protein HSP 90-alpha, 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one (3 entities in total)
Functional Keywords	chaperone, 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	26617.97
Authors	Zuccola, H.J.,Ernst, J.T. (deposition date: 2013-12-13, release date: 2014-04-09, Last modification date: 2024-02-28)
Primary citation	Ernst, J.T.,Neubert, T.,Liu, M.,Sperry, S.,Zuccola, H.,Turnbull, A.,Fleck, B.,Kargo, W.,Woody, L.,Chiang, P.,Tran, D.,Chen, W.,Snyder, P.,Alcacio, T.,Nezami, A.,Reynolds, J.,Alvi, K.,Goulet, L.,Stamos, D. Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57:3382-3400, 2014 Cited by PubMed: 24673104 DOI: 10.1021/jm500042s PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.79 Å)

Structure validation