8EPO

Co-crystal structure of Chaetomium glucosidase with compound 18

This is a non-PDB format compatible entry.

Summary for 8EPO

• Entry DOI: 10.2210/pdb8epo/pdb
• Descriptor: Chaetomium alpha glucosidase, GLYCEROL, (3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile, ... (7 entities in total)
• Functional Keywords: alpha glucosidase i, hydrolase, inhibitor complex, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Thermochaetoides thermophila
• Total number of polymer chains: 2
• Total formula weight: 189053.86

Authors

Karade, S.S.,Mariuzza, R.A. (deposition date: 2022-10-06, release date: 2023-02-22, Last modification date: 2023-10-25)

• Primary citation: Karade, S.S.,Franco, E.J.,Rojas, A.C.,Hanrahan, K.C.,Kolesnikov, A.,Yu, W.,MacKerell Jr., A.D.,Hill, D.C.,Weber, D.J.,Brown, A.N.,Treston, A.M.,Mariuzza, R.A.; Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.; J.Med.Chem., 66:2744-2760, 2023; PubMed: 36762932; DOI: 10.1021/acs.jmedchem.2c01750

Experimental method

X-RAY DIFFRACTION (2.2 Å)