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 Cited by PubMed: 37878264DOI: 10.1021/acs.jmedchem.3c01223 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.09 Å) |
Structure validation
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