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Title | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. |
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Journal, issue, pages | J. Med. Chem., Vol. 65, Page 14614-14629, Year 2022 |
Publish date | Mar 8, 2022 (structure data deposition date) |
Authors | Broker, J. / Waterson, A.G. / Smethurst, C. / Kessler, D. / Bottcher, J. / Mayer, M. / Gmaschitz, G. / Phan, J. / Little, A. / Abbott, J.R. ...Broker, J. / Waterson, A.G. / Smethurst, C. / Kessler, D. / Bottcher, J. / Mayer, M. / Gmaschitz, G. / Phan, J. / Little, A. / Abbott, J.R. / Sun, Q. / Gmachl, M. / Rudolph, D. / Arnhof, H. / Rumpel, K. / Savarese, F. / Gerstberger, T. / Mischerikow, N. / Treu, M. / Herdeis, L. / Wunberg, T. / Gollner, A. / Weinstabl, H. / Mantoulidis, A. / Kramer, O. / McConnell, D.B. / W Fesik, S. |
External links | J. Med. Chem. / PubMed:36300829 |
Methods | X-ray diffraction |
Resolution | 1.12 - 2.41 Å |
Structure data | PDB-7u8h: PDB-8afb: PDB-8afc: PDB-8afd: |
Chemicals | ChemComp-2XO: ChemComp-GDP: ChemComp-MG: ChemComp-LX6: ChemComp-HOH: ChemComp-LXD: ChemComp-LXK: ChemComp-SO4: ChemComp-LXU: |
Source |
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Keywords | SIGNALING PROTEIN / KRAS / P21 / GTP-BINDING PROTEIN / ONCOGENES / BINDER / HYDROLASE / INHIBITOR OF SOS-MEDIATED / ONCOPROTEIN / GTPase / G12C / Complex / Inhibitor |