7P3S

Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 12

Summary for 7P3S

Entry DOI	10.2210/pdb7p3s/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
Total number of polymer chains	4
Total formula weight	205148.73
Authors	Shaik, T.B.,Romier, C. (deposition date: 2021-07-08, release date: 2021-09-15, Last modification date: 2024-01-31)
Primary citation	Ghazy, E.,Heimburg, T.,Lancelot, J.,Zeyen, P.,Schmidtkunz, K.,Truhn, A.,Darwish, S.,Simoben, C.V.,Shaik, T.B.,Erdmann, F.,Schmidt, M.,Robaa, D.,Romier, C.,Jung, M.,Pierce, R.,Sippl, W. Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis. Eur.J.Med.Chem., 225:113745-113745, 2021 Cited by PubMed: 34392190 DOI: 10.1016/j.ejmech.2021.113745 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.546 Å)

Structure validation