8CEQ

Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO427

Summary for 8CEQ

• Entry DOI: 10.2210/pdb8ceq/pdb
• Descriptor: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid (3 entities in total)
• Functional Keywords: viral, methyltransferase, vp39, monkeypox, mpox, capping, enzyme, inhibitor, viral protein
• Biological source: Monkeypox virus
• Total number of polymer chains: 2
• Total formula weight: 72866.06

Authors

Klima, M.,Silhan, J.,Boura, E. (deposition date: 2023-02-02, release date: 2023-04-05, Last modification date: 2023-05-03)

• Primary citation: Silhan, J.,Klima, M.,Otava, T.,Skvara, P.,Chalupska, D.,Chalupsky, K.,Kozic, J.,Nencka, R.,Boura, E.; Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.; Nat Commun, 14:2259-2259, 2023; PubMed: 37080993; DOI: 10.1038/s41467-023-38019-1

Experimental method

X-RAY DIFFRACTION (2.5 Å)