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NMR-based, molecular dynamics- and random walk molecular mechanics-supported study of conformational aspects of a carbohydrate ligand (Gal beta 1-2Gal beta 1-R) for an animal galectin in the free and in the bound state.
Siebert HC, Gilleron M, Kaltner H, von der Lieth CW, Kozár T, Bovin N, Korchagina EY, Vliegenthart JF, Gabius HJ. Siebert HC, et al. Biochem Biophys Res Commun. 1996 Feb 6;219(1):205-12. doi: 10.1006/bbrc.1996.0206. Biochem Biophys Res Commun. 1996. PMID: 8619808
Molecular dynamics-derived conformation and intramolecular interaction analysis of the N-acetyl-9-O-acetylneuraminic acid-containing ganglioside GD1a and NMR-based analysis of its binding to a human polyclonal immunoglobulin G fraction with selectivity for O-acetylated sialic acids.
Siebert HC, von der Lieth CW, Dong X, Reuter G, Schauer R, Gabius HJ, Vliegenthart JF. Siebert HC, et al. Glycobiology. 1996 Sep;6(6):561-72. doi: 10.1093/glycob/6.6.561-b. Glycobiology. 1996. PMID: 8922951 Free PMC article.
Involvement of laser photo-CIDNP (chemically induced dynamic nuclear polarization)-reactive amino acid side chains in ligand binding by galactoside-specific lectins in solution.
Siebert HC, Adar R, Arango R, Burchert M, Kaltner H, Kayser G, Tajkhorshid E, von der Lieth CW, Kaptein R, Sharon N, Vliegenthart JF, Gabius HJ. Siebert HC, et al. Eur J Biochem. 1997 Oct 1;249(1):27-38. doi: 10.1111/j.1432-1033.1997.00027.x. Eur J Biochem. 1997. PMID: 9363750 Free article.
A new combined computational and NMR-spectroscopical strategy for the identification of additional conformational constraints of the bound ligand in an aprotic solvent.
Siebert HC, André S, Asensio JL, Cañada FJ, Dong X, Espinosa JF, Frank M, Gilleron M, Kaltner H, Kozár T, Bovin NV, von Der Lieth CW, Vliegenthart JF, Jiménez-Barbero J, Gabius HJ. Siebert HC, et al. Chembiochem. 2000 Oct 2;1(3):181-95. doi: 10.1002/1439-7633(20001002)1:3<181::AID-CBIC181>3.0.CO;2-9. Chembiochem. 2000. PMID: 11828411
Murine homodimeric adhesion/growth-regulatory galectins-1, -2 and -7: comparative profiling of gene/ promoter sequences by database mining, of expression by RT-PCR/immunohistochemistry and of contact sites for carbohydrate ligands by computational chemistry.
Lohr M, Lensch M, André S, Kaltner H, Siebert HC, Smetana K Jr, Sinowatz F, Gabius HJ. Lohr M, et al. Among authors: siebert hc. Folia Biol (Praha). 2007;53(4):109-28. Folia Biol (Praha). 2007. PMID: 17706016 Free article.
Conformer selection and differential restriction of ligand mobility by a plant lectin--conformational behaviour of Galbeta1-3GlcNAcbeta1-R, Galbeta1-3GalNAcbeta1-R and Galbeta1-2Galbeta1-R' in the free state and complexed with galactoside-specific mistletoe lectin as revealed by random-walk and conformational-clustering molecular-mechanics.
Gilleron M, Siebert HC, Kaltner H, von der Lieth CW, Kozár T, Halkes KM, Korchagina EY, Bovin NV, Gabius HJ, Vliegenthart JF. Gilleron M, et al. Among authors: siebert hc. Eur J Biochem. 1998 Mar 15;252(3):416-27. doi: 10.1046/j.1432-1327.1998.2520416.x. Eur J Biochem. 1998. PMID: 9546657 Free article.
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