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Selenoglycosides in silico: ab initio-derived reparameterization of MM4, conformational analysis using histo-blood group ABH antigens and lectin docking as indication for potential of bioactivity.
Strino F, Lii JH, Koppisetty CA, Nyholm PG, Gabius HJ. Strino F, et al. J Comput Aided Mol Des. 2010 Dec;24(12):1009-21. doi: 10.1007/s10822-010-9392-y. Epub 2010 Oct 26. J Comput Aided Mol Des. 2010. PMID: 20976527
Conformational analysis of thioglycoside derivatives of histo-blood group ABH antigens using an ab initio-derived reparameterization of MM4: implications for design of non-hydrolysable mimetics.
Strino F, Lii JH, Gabius HJ, Nyholm PG. Strino F, et al. J Comput Aided Mol Des. 2009 Dec;23(12):845-52. doi: 10.1007/s10822-009-9301-4. Epub 2009 Sep 15. J Comput Aided Mol Des. 2009. PMID: 19757090
Intra- and intermolecular interactions of human galectin-3: assessment by full-assignment-based NMR.
Ippel H, Miller MC, Vértesy S, Zheng Y, Cañada FJ, Suylen D, Umemoto K, Romanò C, Hackeng T, Tai G, Leffler H, Kopitz J, André S, Kübler D, Jiménez-Barbero J, Oscarson S, Gabius HJ, Mayo KH. Ippel H, et al. Glycobiology. 2016 Aug;26(8):888-903. doi: 10.1093/glycob/cww021. Epub 2016 Feb 23. Glycobiology. 2016. PMID: 26911284 Free PMC article.
Natural single amino acid polymorphism (F19Y) in human galectin-8: detection of structural alterations and increased growth-regulatory activity on tumor cells.
Ruiz FM, Scholz BA, Buzamet E, Kopitz J, André S, Menéndez M, Romero A, Solís D, Gabius HJ. Ruiz FM, et al. FEBS J. 2014 Mar;281(5):1446-64. doi: 10.1111/febs.12716. Epub 2014 Feb 3. FEBS J. 2014. PMID: 24418318
Conformational selection in glycomimetics: human galectin-1 only recognizes syn-Ψ-type conformations of β-1,3-linked lactose and its C-glycosyl derivative.
Vidal P, Roldós V, Fernández-Alonso Mdel C, Vauzeilles B, Bleriot Y, Cañada FJ, André S, Gabius HJ, Jiménez-Barbero J, Espinosa JF, Martín-Santamaría S. Vidal P, et al. Chemistry. 2013 Oct 18;19(43):14581-90. doi: 10.1002/chem.201301244. Epub 2013 Sep 17. Chemistry. 2013. PMID: 24105715
Molecular recognition of complex-type biantennary N-glycans by protein receptors: a three-dimensional view on epitope selection by NMR.
Ardá A, Blasco P, Varón Silva D, Schubert V, André S, Bruix M, Cañada FJ, Gabius HJ, Unverzagt C, Jiménez-Barbero J. Ardá A, et al. J Am Chem Soc. 2013 Feb 20;135(7):2667-75. doi: 10.1021/ja3104928. Epub 2013 Feb 5. J Am Chem Soc. 2013. PMID: 23360551
Diffusion nuclear magnetic resonance spectroscopy detects substoichiometric concentrations of small molecules in protein samples.
Ribeiro JP, Palczewska M, André S, Cañada FJ, Gabius HJ, Jiménez-Barbero J, Mellström B, Naranjo JR, Scheffers DJ, Groves P. Ribeiro JP, et al. Anal Biochem. 2010 Jan 1;396(1):117-23. doi: 10.1016/j.ab.2009.09.001. Epub 2009 Sep 4. Anal Biochem. 2010. PMID: 19733545
Lanthanide-chelating carbohydrate conjugates are useful tools to characterize carbohydrate conformation in solution and sensitive sensors to detect carbohydrate-protein interactions.
Canales Á, Mallagaray Á, Berbís MÁ, Navarro-Vázquez A, Domínguez G, Cañada FJ, André S, Gabius HJ, Pérez-Castells J, Jiménez-Barbero J. Canales Á, et al. J Am Chem Soc. 2014 Jun 4;136(22):8011-7. doi: 10.1021/ja502406x. Epub 2014 May 27. J Am Chem Soc. 2014. PMID: 24831588
Detection of malignancy-associated phosphoproteome changes in human colorectal cancer induced by cell surface binding of growth-inhibitory galectin-4.
Michalak M, Warnken U, Schnölzer M, Gabius HJ, Kopitz J. Michalak M, et al. IUBMB Life. 2019 Mar;71(3):364-375. doi: 10.1002/iub.1987. Epub 2018 Dec 14. IUBMB Life. 2019. PMID: 30550624
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