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-Structure paper
Title | Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase. |
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Journal, issue, pages | Bioorg. Med. Chem. Lett., Vol. 39, Page 127904-127904, Year 2021 |
Publish date | Apr 28, 2020 (structure data deposition date) |
Authors | O' Donovan, D.H. / Gregson, C. / Packer, M.J. / Greenwood, R. / Pike, K.G. / Kawatkar, S. / Bloecher, A. / Robinson, J. / Read, J. / Code, E. ...O' Donovan, D.H. / Gregson, C. / Packer, M.J. / Greenwood, R. / Pike, K.G. / Kawatkar, S. / Bloecher, A. / Robinson, J. / Read, J. / Code, E. / Hsu, J.H. / Shen, M. / Woods, H. / Barton, P. / Fillery, S. / Williamson, B. / Rawlins, P.B. / Bagal, S.K. |
External links | Bioorg. Med. Chem. Lett. / PubMed:33684441 |
Methods | X-ray diffraction |
Resolution | 1.84 - 2.26 Å |
Structure data | PDB-6yvi: PDB-6yvj: |
Chemicals | ChemComp-CA: ChemComp-L9W: ChemComp-PV5: ChemComp-HOH: ChemComp-GOL: ChemComp-EJR: |
Source |
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Keywords | PROTEIN BINDING / Methyl transferase EED PRC2 epigenetic H3K27 WD40 inhibitor |