8PBF

Galectin-3C in complex with a triazolesulfane derivative

Summary for 8PBF

Entry DOI	10.2210/pdb8pbf/pdb
Descriptor	Galectin-3, (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-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, THIOCYANATE ION, ... (4 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	16276.70
Authors	Kumar, R.,Mahanti, M. (deposition date: 2023-06-09, 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 Cited by PubMed: 37878264 DOI: 10.1021/acs.jmedchem.3c01223 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.14 Å)

Structure validation