5LO5

HSP90 WITH indole derivative

Summary for 5LO5

Entry DOI	10.2210/pdb5lo5/pdb
Descriptor	Heat shock protein HSP 90-alpha, 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile (3 entities in total)
Functional Keywords	chaperone
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	26113.31
Authors	Graedler, U.,Amaral, M. (deposition date: 2016-08-08, release date: 2017-11-29, Last modification date: 2024-01-10)
Primary citation	Kokh, D.B.,Amaral, M.,Bomke, J.,Gradler, U.,Musil, D.,Buchstaller, H.P.,Dreyer, M.K.,Frech, M.,Lowinski, M.,Vallee, F.,Bianciotto, M.,Rak, A.,Wade, R.C. Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14:3859-3869, 2018 Cited by PubMed: 29768913 DOI: 10.1021/acs.jctc.8b00230 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.44 Å)

Structure validation