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TitleWater envelope has a critical impact on the design of protein-protein interaction inhibitors.
Journal, issue, pagesChem. Commun. (Camb. ), Vol. 56, Page 4360-4363, Year 2020
Publish dateMay 22, 2019 (structure data deposition date)
AuthorsRatkova, E.L. / Dawidowski, M. / Napolitano, V. / Dubin, G. / Fino, R. / Ostertag, M.S. / Sattler, M. / Popowicz, G. / Tetko, I.V.
External linksChem. Commun. (Camb. ) / PubMed:32195483
MethodsX-ray diffraction
Resolution1.3 Å
Structure data

PDB-6rt2:
Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules designed to investigate the water envelope
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-CV5:
(3~{S})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid

ChemComp-SO4:
SULFATE ION

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-HOH:
WATER

Source
  • trypanosoma brucei brucei (eukaryote)
KeywordsSIGNALING PROTEIN / Peroxisomal Translocation / PPI inhibition / Protein-Inhibitor Complex

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