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Structure paper

TitleEnhancing the apo protein tyrosine phosphatase non-receptor type 2 crystal soaking strategy through inhibitor-accessible binding sites.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 80, Page 210-219, Year 2024
Publish dateJun 5, 2024 (structure data deposition date)
AuthorsBester, S.M. / Linwood, R. / Kataoka, R. / Wu, W.I. / Mou, T.C.
External linksActa Crystallogr. ,Sect. F / PubMed:39177701
MethodsX-ray diffraction
Resolution2.05 - 2.43 Å
Structure data

PDB-9c54:
Crystal structure of human PTPN2 catalytic domain
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-9c55:
Crystal structure of human PTPN2 in complex with active site inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.36 Å

PDB-9c56:
Crystal structure of human PTPN2 in complex with allosteric inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-527:
5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID

ChemComp-FRJ:
3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE

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

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