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TitleStructure-Based Design of Active-Site-Directed, Highly Potent, Selective, and Orally Bioavailable Low-Molecular-Weight Protein Tyrosine Phosphatase Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 13892-13909, Year 2022
Publish dateMay 2, 2022 (structure data deposition date)
AuthorsHe, R. / Wang, J. / Yu, Z.H. / Moyers, J.S. / Michael, M.D. / Durham, T.B. / Cramer, J.W. / Qian, Y. / Lin, A. / Wu, L. ...He, R. / Wang, J. / Yu, Z.H. / Moyers, J.S. / Michael, M.D. / Durham, T.B. / Cramer, J.W. / Qian, Y. / Lin, A. / Wu, L. / Noinaj, N. / Barrett, D.G. / Zhang, Z.Y.
External linksJ. Med. Chem. / PubMed:36197449
MethodsX-ray diffraction
Resolution1.5 Å
Structure data

PDB-7uw6:
The co-crystal structure of low molecular weight protein tyrosine phosphatase (LMW-PTP) with a small molecule inhibitor SPAA-2
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-OIF:
2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / low molecular weight protein tyrosine phosphatase; Inhibitor; Complex

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