5BPE

Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor

Summary for 5BPE

Entry DOI	10.2210/pdb5bpe/pdb
Related PRD ID	PRD_002211
Descriptor	EV71 3Cpro, (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide (3 entities in total)
Functional Keywords	protease, inhibitor, hydrolase
Biological source	Enterovirus A71
Total number of polymer chains	1
Total formula weight	20479.68
Authors	Luqing, S.,Yin, Z. (deposition date: 2015-05-28, release date: 2015-11-25, Last modification date: 2024-03-20)
Primary citation	Zhai, Y.,Zhao, X.,Cui, Z.,Wang, M.,Wang, Y.,Li, L.,Sun, Q.,Yang, X.,Zeng, D.,Liu, Y.,Sun, Y.,Lou, Z.,Shang, L.,Yin, Z. Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease J.Med.Chem., 58:9414-9420, 2015 Cited by PubMed: 26571192 DOI: 10.1021/acs.jmedchem.5b01013 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation