6GXU

Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3

Summary for 6GXU

Entry DOI	10.2210/pdb6gxu/pdb
Descriptor	Histone deacetylase, ZINC ION, POTASSIUM ION, ... (7 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	206325.37
Authors	Shaik, T.B.,Marek, M.,Romier, C. (deposition date: 2018-06-27, release date: 2018-08-15, Last modification date: 2024-01-17)
Primary citation	Bayer, T.,Chakrabarti, A.,Lancelot, J.,Shaik, T.B.,Hausmann, K.,Melesina, J.,Schmidtkunz, K.,Marek, M.,Erdmann, F.,Schmidt, M.,Robaa, D.,Romier, C.,Pierce, R.J.,Jung, M.,Sippl, W. Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis. ChemMedChem, 13:1517-1529, 2018 Cited by PubMed: 29806110 DOI: 10.1002/cmdc.201800238 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.917 Å)

Structure validation