8PF9

Galectin-3C in complex with a triazolesulfane derivative

Summary for 8PF9

• Entry DOI: 10.2210/pdb8pf9/pdb
• Related: 8PBF
• Descriptor: Galectin-3, THIOCYANATE ION, (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[oxidanyl(phenyl)-$l^{3}-sulfanyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, ... (5 entities in total)
• Functional Keywords: inhibitor, complex, sugar binding protein, structure-based inhibitor design
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 16342.32

Authors

Kumar, R.,Mahanti, M.,Nilsson, U.J.,Logan, D.T. (deposition date: 2023-06-15, release date: 2023-11-08, Last modification date: 2023-11-22)

• Primary citation: Mahanti, M.,Pal, K.B.,Kumar, R.,Schulze, M.,Leffler, H.,Logan, D.T.,Nilsson, U.J.; Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.; J.Med.Chem., 66:14716-14723, 2023; PubMed: 37878264; DOI: 10.1021/acs.jmedchem.3c01223

Experimental method

X-RAY DIFFRACTION (1.09 Å)