6LKA

Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds

Summary for 6LKA

Entry DOI	10.2210/pdb6lka/pdb
Descriptor	3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (3 entities in total)
Functional Keywords	enterovirus 71, 3c protease inhibitor, hydrolase inhibitor, virus, hydrolase
Biological source	Enterovirus A71
Total number of polymer chains	1
Total formula weight	20611.71
Authors	Li, P.,Wu, S.Q.,Xiao, T.Y.C.,Li, Y.L.,Su, Z.M.,Hao, F.,Hu, G.P.,Hu, J.,Lin, F.S.,Chen, X.S.,Gu, Z.X.,He, H.Y.,Li, J.,Chen, S.H. (deposition date: 2019-12-18, release date: 2020-06-17, Last modification date: 2023-11-22)
Primary citation	Li, P.,Wu, S.,Xiao, T.,Li, Y.,Su, Z.,Wei, W.,Hao, F.,Hu, G.,Lin, F.,Chen, X.,Gu, Z.,Lin, T.,He, H.,Li, J.,Chen, S. Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent. Bioorg.Med.Chem., 28:115551-115551, 2020 Cited by PubMed: 32503695 DOI: 10.1016/j.bmc.2020.115551 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.033 Å)

Structure validation