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TitleDiscovery of Small Molecules that Bind to Son of Sevenless 2 (SOS2).
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 2680-2693, Year 2025
Publish dateMay 20, 2024 (structure data deposition date)
AuthorsZak, K.M. / Waterson, A.G. / Geist, L. / Braun, N. / Hauer, K. / Rumpel, K. / Ramharter, J. / Stadtmueller, H. / Wolkerstorfer, B. / Schoenbauer, D. ...Zak, K.M. / Waterson, A.G. / Geist, L. / Braun, N. / Hauer, K. / Rumpel, K. / Ramharter, J. / Stadtmueller, H. / Wolkerstorfer, B. / Schoenbauer, D. / Cui, J. / Phan, J. / Abbott, J.R. / Sarkar, D. / Hodges, T.R. / Arnold, A. / Sensintaffar, J.L. / Fesik, S.W. / Kessler, D.
External linksJ. Med. Chem. / PubMed:39818983
MethodsX-ray diffraction
Resolution1.787 - 2.4 Å
Structure data

PDB-9bve:
Identification of multiple ligand hotspots on SOS2, compound 9
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-9bvf:
Identification of multiple ligand hotspots on SOS2, compound 6
Method: X-RAY DIFFRACTION / Resolution: 1.822 Å

PDB-9bvi:
Identification of multiple ligand hotspots on SOS2, compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.787 Å

PDB-9gin:
SOS2 in complex with compound 11
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

Chemicals

PDB-1asy:
CLASS II AMINOACYL TRANSFER RNA SYNTHETASES: CRYSTAL STRUCTURE OF YEAST ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH TRNA ASP

ChemComp-HOH:
WATER

PDB-1asx:
APICAL DOMAIN OF THE CHAPERONIN FROM THERMOPLASMA ACIDOPHILUM

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-SO4:
SULFATE ION

PDB-1asw:
AVIAN SARCOMA VIRUS INTEGRASE CATALYTIC CORE DOMAIN CRYSTALLIZED FROM 20% PEG 4000, 10% ISOPROPANOL, HEPES PH 7.5 USING SELENOMETHIONINE SUBSTITUTED PROTEIN; DATA COLLECTED AT-165 DEGREES C

PDB-1il1:
Crystal structure of G3-519, an anti-HIV monoclonal antibody

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / small molecule complex crystal structure / SOS2 / guanosine nucleotide exchange factor / RAS-activator / oncogenes / inhibitor of SOS-mediated guanosine nucleotide exchange / HYDROLASE / SOS2 inhibitor cancer small molecule

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