4O0B

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 4O0B

Entry DOI	10.2210/pdb4o0b/pdb
Related	4O04 4O05 4O06 4O09
Descriptor	Heat shock protein HSP 90-alpha, 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-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	26573.92
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 (1.93 Å)

Structure validation