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Structure paper

TitleExploring the Existing Drug Space for Novel pTyr Mimetic and SHP2 Inhibitors.
Journal, issue, pagesACS Med Chem Lett, Vol. 6, Page 782-786, Year 2015
Publish dateSep 18, 2014 (structure data deposition date)
AuthorsHe, R. / Yu, Z.H. / Zhang, R.Y. / Wu, L. / Gunawan, A.M. / Lane, B.S. / Shim, J.S. / Zeng, L.F. / He, Y. / Chen, L. ...He, R. / Yu, Z.H. / Zhang, R.Y. / Wu, L. / Gunawan, A.M. / Lane, B.S. / Shim, J.S. / Zeng, L.F. / He, Y. / Chen, L. / Wells, C.D. / Liu, J.O. / Zhang, Z.Y.
External linksACS Med Chem Lett / PubMed:26191366
MethodsX-ray diffraction
Resolution1.601 Å
Structure data

PDB-4rdd:
Co-crystal structure of SHP2 in complex with a Cefsulodin derivative
Method: X-RAY DIFFRACTION / Resolution: 1.601 Å

Chemicals

ChemComp-3LU:
1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyr / antibiotic*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex

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