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Structure paper

TitleAllosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 306-316, Year 2019
Publish dateAug 3, 2018 (structure data deposition date)
AuthorsTautermann, C.S. / Binder, F. / Buttner, F.H. / Eickmeier, C. / Fiegen, D. / Gross, U. / Grundl, M.A. / Heilker, R. / Hobson, S. / Hoerer, S. ...Tautermann, C.S. / Binder, F. / Buttner, F.H. / Eickmeier, C. / Fiegen, D. / Gross, U. / Grundl, M.A. / Heilker, R. / Hobson, S. / Hoerer, S. / Luippold, A. / Mack, V. / Montel, F. / Peters, S. / Bhattacharya, S. / Vaidehi, N. / Schnapp, G. / Thamm, S. / Zeeb, M.
External linksJ. Med. Chem. / PubMed:30207464
MethodsX-ray diffraction
Resolution1.66 - 1.771 Å
Structure data

PDB-6h8r:
CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-6h8s:
CRYSTAL STRUCTURE OF THE MOUSE PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND BI-0314
Method: X-RAY DIFFRACTION / Resolution: 1.771 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-FWB:
3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol

ChemComp-HOH:
WATER

ChemComp-FSZ:
1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine

Source
  • homo sapiens (human)
  • mus musculus (house mouse)
KeywordsHYDROLASE / PROTEIN PHOSPHATASE / PTN5 / STEP / ALLOSTERIC MODULATOR

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