6HS4

Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118

Summary for 6HS4

Entry DOI	10.2210/pdb6hs4/pdb
Descriptor	Envelope glycoprotein,GP1,Envelope glycoprotein, Envelope glycoprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (8 entities in total)
Functional Keywords	ebola glycoprotein, structure-based in silico screening, compound 118, compound 118a, natural compound, viral protein
Biological source	Zaire ebolavirus (strain Mayinga-76) (ZEBOV) More
Total number of polymer chains	2
Total formula weight	58494.38
Authors	Ren, J.,Zhao, Y.,Stuart, D.I. (deposition date: 2018-09-28, release date: 2019-02-27, Last modification date: 2024-01-24)
Primary citation	Shaikh, F.,Zhao, Y.,Alvarez, L.,Iliopoulou, M.,Lohans, C.,Schofield, C.J.,Padilla-Parra, S.,Siu, S.W.I.,Fry, E.E.,Ren, J.,Stuart, D.I. Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library. J.Med.Chem., 62:2928-2937, 2019 Cited by PubMed: 30785281 DOI: 10.1021/acs.jmedchem.8b01328 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.05 Å)

Structure validation