6FU1

Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate

Summary for 6FU1

Entry DOI	10.2210/pdb6fu1/pdb
Descriptor	Histone deacetylase, ZINC ION, POTASSIUM ION, ... (6 entities in total)
Functional Keywords	epigenetics, histone deacetylase, hdac8, selective inhibitor, pathogen, hydrolase
Biological source	Schistosoma mansoni (Blood fluke)
Total number of polymer chains	4
Total formula weight	203985.35
Authors	Marek, M.,Shaik, T.B.,Romier, C. (deposition date: 2018-02-26, release date: 2019-03-13)
Primary citation	Simoben, C.V.,Robaa, D.,Chakrabarti, A.,Schmidtkunz, K.,Marek, M.,Lancelot, J.,Kannan, S.,Melesina, J.,Shaik, T.B.,Pierce, R.J.,Romier, C.,Jung, M.,Sippl, W. A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing. Molecules, 23:-, 2018 Cited by PubMed: 29498707 DOI: 10.3390/molecules23030566 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.548 Å)

Structure validation