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, Last modification date: 2024-05-08) |
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: 29498707DOI: 10.3390/molecules23030566 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.548 Å) |
Structure validation
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