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| Title | Fragment-Based Discovery and Structure-Led Optimization of MSC778, the First Potent, Selective, and Orally Bioavailable FEN1 Inhibitor. |
|---|---|
| Journal, issue, pages | J. Med. Chem., Vol. 68, Page 20410-20434, Year 2025 |
| Publish date | May 29, 2025 (structure data deposition date) |
Authors | Mann, S.E. / Lefranc, J. / Alkhatib, O. / Boivin, R. / Bomke, J. / Byrne, R.T. / Cassona, C.P. / Chen, X. / Cornaciu, I. / Costales, P. ...Mann, S.E. / Lefranc, J. / Alkhatib, O. / Boivin, R. / Bomke, J. / Byrne, R.T. / Cassona, C.P. / Chen, X. / Cornaciu, I. / Costales, P. / Davis, O.A. / DeSelm, L. / Elinati, E. / Follows, B. / Galbiati, A. / Goldner, C. / Hayre, J.K. / Jorand-Lebrun, C. / Lademann, C.A. / Leuthner, B. / Majithiya, J.B. / Malta, C.F. / Mason, B. / McWhirter, C.L. / Neff, B. / Nissink, J.W.M. / Pehl, U. / Petersson, C. / Pica, A. / Pinto, M.F. / Rajendra, E. / Rakers, C. / Toste Rego, A. / Robinson, H.M.R. / Sala-Hojman, A. / Schaedler, T.A. / Schurmann, P.J.L. / Silva, D.O. / Smith, G.C.M. / Sorrell, F. / Webster, G.R. / Zenke, F.T. / Heald, R.A. / Burgdorf, L.T. |
External links | J. Med. Chem. / PubMed:40963090 |
| Methods | X-ray diffraction |
| Resolution | 1.662 - 2.105 Å |
| Structure data | ![]() PDB-9rci: ![]() PDB-9rdi: |
| Chemicals | ![]() ChemComp-MG: ![]() ChemComp-EDO: ![]() PDB-1jd4: ![]() ChemComp-HOH: ![]() PDB-1jed: ![]() ChemComp-TEW: |
| Source |
|
Keywords | HYDROLASE / Endonuclease |
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