3RUO

Complex structure of HevB EV93 main protease 3C with Rupintrivir (AG7088)

Summary for 3RUO

Entry DOI	10.2210/pdb3ruo/pdb
Related	3Q3X 3Q3Y
Descriptor	HEVB EV93 3C PROTEASE, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, MAGNESIUM ION, ... (5 entities in total)
Functional Keywords	cysteine trypsin-like protease, 3c cysteine protease (picornain 3c), rupintrivir (ag7088), covalently bound inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human enterovirus B
Total number of polymer chains	2
Total formula weight	44076.44
Authors	Kaczmarska, Z.,Janowski, R.,Costenaro, L.,Coutard, B.,Norder, H.,Canard, B.,Coll, M. (deposition date: 2011-05-05, release date: 2011-09-07, Last modification date: 2023-09-13)
Primary citation	Costenaro, L.,Kaczmarska, Z.,Arnan, C.,Janowski, R.,Coutard, B.,Sola, M.,Gorbalenya, A.E.,Norder, H.,Canard, B.,Coll, M. Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93. J.Virol., 85:10764-10773, 2011 Cited by PubMed: 21835784 DOI: 10.1128/JVI.05062-11 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation