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6GX3

Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1

Summary for 6GX3
Entry DOI10.2210/pdb6gx3/pdb
DescriptorHistone deacetylase, ZINC ION, POTASSIUM ION, ... (7 entities in total)
Functional Keywordsepigenetics, histone deacetylase, hdac8, selective inhibitor, pathogen, hydrolase
Biological sourceSchistosoma mansoni (Blood fluke)
Total number of polymer chains4
Total formula weight205426.62
Authors
Shaik, T.B.,Marek, M.,Romier, C. (deposition date: 2018-06-26, release date: 2018-08-15, Last modification date: 2024-01-17)
Primary citationBayer, 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 (2.1 Å)
Structure validation

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