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-Structure paper
Title | Exploiting Solvent Exposed Salt-Bridge Interactions for the Discovery of Potent Inhibitors of SOS1 Using Free-Energy Perturbation Simulations. |
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Journal, issue, pages | Acs Med. Chem. Lett., Vol. 16, Page 444-453, Year 2025 |
Publish date | Dec 16, 2024 (structure data deposition date) |
![]() | Leffler, A.E. / Houang, E.M. / Gray, F. / Placzek, A.T. / Ruvinsky, A.M. / Bell, J.A. / Wang, H. / Sun, S. / Svensson, M. / Greenwood, J.R. ...Leffler, A.E. / Houang, E.M. / Gray, F. / Placzek, A.T. / Ruvinsky, A.M. / Bell, J.A. / Wang, H. / Sun, S. / Svensson, M. / Greenwood, J.R. / Frye, L.L. / Igawa, H. / Atsriku, C. / Levinson, A.M. |
![]() | ![]() ![]() |
Methods | X-ray diffraction |
Resolution | 2.17 - 2.62 Å |
Structure data | ![]() PDB-9mjl: ![]() PDB-9mjm: |
Chemicals | ![]()
PDB-1bme: Unknown entry ![]() ChemComp-EDO: ![]() ChemComp-HOH: ![]() PDB-1bmd: ![]() ChemComp-IMD: |
Source |
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![]() | ONCOPROTEIN / ONCOLOGY / EXCHANGE FACTOR / PROTEIN-LIGAND COMPLEX |