Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Journal, issue, pages	Acs Med. Chem. Lett., Vol. 14, Page 156-162, Year 2023
Publish date	Sep 25, 2022 (structure data deposition date)
Authors	Torrente, E. / Fodale, V. / Ciammaichella, A. / Ferrigno, F. / Ontoria, J.M. / Ponzi, S. / Rossetti, I. / Sferrazza, A. / Amaudrut, J. / Missineo, A. ...Torrente, E. / Fodale, V. / Ciammaichella, A. / Ferrigno, F. / Ontoria, J.M. / Ponzi, S. / Rossetti, I. / Sferrazza, A. / Amaudrut, J. / Missineo, A. / Esposito, S. / Palombo, S. / Nibbio, M. / Cerretani, M. / Bisbocci, M. / Cellucci, A. / di Marco, A. / Alli, C. / Pucci, V. / Toniatti, C. / Petrocchi, A.
External links	Acs Med. Chem. Lett. / PubMed:36793438
Methods	X-ray diffraction
Resolution	1.83 - 2.24 Å
Structure data	PDB-8b5y: SHP2 in complex with allosteric imidazopyrazine inhibitor Method: X-RAY DIFFRACTION / Resolution: 1.83 Å PDB-8cbh: SHP2 in complex with a novel allosteric inhibitor Method: X-RAY DIFFRACTION / Resolution: 2.24 Å
Chemicals	ChemComp-P8O: (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine ChemComp-FMT: FORMIC ACID ChemComp-HOH: WATER ChemComp-U70: [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
Source	homo sapiens (human)
Keywords	SIGNALING PROTEIN / SHP2 / allosteric inhibitors / imidazopyrazine / oncology