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-Structure paper
Title | A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing. |
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Journal, issue, pages | Molecules, Vol. 23, Year 2018 |
Publish date | Feb 26, 2018 (structure data deposition date) |
![]() | Simoben, C.V. / Robaa, D. / Chakrabarti, A. / Schmidtkunz, K. / Marek, M. / Lancelot, J. / Kannan, S. / Melesina, J. / Shaik, T.B. / Pierce, R.J. ...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. |
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Methods | X-ray diffraction |
Resolution | 1.548 Å |
Structure data | ![]() PDB-6fu1: |
Chemicals | ![]() ChemComp-ZN: ![]() ChemComp-K: ![]() ChemComp-E7Q: ![]() ChemComp-GOL: ![]() ChemComp-HOH: |
Source |
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![]() | HYDROLASE / Epigenetics / Histone deacetylase / HDAC8 / Selective inhibitor / Pathogen |