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TitleAtropisomerism Observed in Galactose-Based Monosaccharide Inhibitors of Galectin-3 Comprising 2-Methyl-4-phenyl-2,4-dihydro-3 H -1,2,4-triazole-3-thione.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 14184-14199, Year 2024
Publish dateApr 11, 2024 (structure data deposition date)
AuthorsYoon, D.S. / Liu, C. / Jalagam, P.R. / Feng, J. / Wang, W. / Swidorski, J.J. / Xu, L. / Hartz, R.A. / Nair, S.K. / Beno, B.R. ...Yoon, D.S. / Liu, C. / Jalagam, P.R. / Feng, J. / Wang, W. / Swidorski, J.J. / Xu, L. / Hartz, R.A. / Nair, S.K. / Beno, B.R. / Panda, M. / Ghosh, K. / Kumar, A. / Sale, H. / Shah, D. / Mathur, A. / Ellsworth, B.A. / Cheng, D. / Regueiro-Ren, A.
External linksJ. Med. Chem. / PubMed:39102502
MethodsX-ray diffraction
Resolution1.45 - 2 Å
Structure data

PDB-8z1s:
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8z1t:
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8z25:
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-8zuv:
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

PDB-1l0q:
Tandem YVTN beta-propeller and PKD domains from an archaeal surface layer protein

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-MG:
Unknown entry

PDB-1l0r:
NMR Solution Structure of Nogalamycin Intercalation Between Co-Axially Stacked Hairpins

Source
  • homo sapiens (human)
KeywordsSUGAR BINDING PROTEIN / Fibrosis / Galactose

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