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Structure paper

TitleDynamic and structural insights into allosteric regulation on MKP5 a dual-specificity phosphatase.
Journal, issue, pagesNat Commun, Vol. 16, Page 7011-7011, Year 2025
Publish dateMay 7, 2024 (structure data deposition date)
AuthorsSkeens, E. / Maschietto, F. / Manjula, R. / Shillingford, S. / Murphy, J. / Lolis, E.J. / Batista, V.S. / Bennett, A.M. / Lisi, G.P.
External linksNat Commun / PubMed:40745179
MethodsX-ray diffraction
Resolution2.39 - 2.9 Å
Structure data

PDB-9bpn:
Crystal structure of the allosteric MKP5 mutant Y435W
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-9bu4:
Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-9o8w:
Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-CJA:
3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsHYDROLASE / MKP5 / Allosteric site mutant / HYDROLASE/INHIBITOR / allosteric inhibitor / allosteric site / HYDROLASE-INHIBITOR complex

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