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Structure paper

TitleStructural Insight into the Two-Step Mechanism of PAI-1 Inhibition by Small Molecule TM5484.
Journal, issue, pagesInt J Mol Sci, Vol. 22, Year 2021
Publish dateOct 21, 2020 (structure data deposition date)
AuthorsSillen, M. / Miyata, T. / Vaughan, D.E. / Strelkov, S.V. / Declerck, P.J.
External linksInt J Mol Sci / PubMed:33540702
MethodsX-ray diffraction
Resolution1.77 - 2.27 Å
Structure data

PDB-7aqf:
Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab)
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-7aqg:
Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F)
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

Chemicals

ChemComp-RV2:
5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • vicugna pacos (alpaca)
KeywordsHYDROLASE / plasminogen activator inhibitor-1 / PAI-1 / PAI-1-stab / serpin / protease inhibitor / serine protease inhibitor / small molecule inhibitor / PAI-1-W175F / small molecule / antibody fragments / nanobodies / protein complex

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