8BWU
Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor
Summary for 8BWU
Entry DOI | 10.2210/pdb8bwu/pdb |
Descriptor | Transcription factor ETV6,Proofreading exoribonuclease nsp14, (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, ZINC ION, ... (4 entities in total) |
Functional Keywords | viral, sars-cov-2, covid-19, methyltransferase, rna cap, inhibitor, ss148, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 More |
Total number of polymer chains | 1 |
Total formula weight | 36000.26 |
Authors | Konkolova, E.,Klima, M.,Boura, E.,Jin, J.,Kaniskan, H.U.,Han, Y.,Vedadi, M. (deposition date: 2022-12-07, release date: 2023-10-11, Last modification date: 2024-06-26) |
Primary citation | Nigam, A.,Hurley, M.F.D.,Li, F.,Konkolova, E.,Klima, M.,Trylcova, J.,Pollice, R.,Cinaroglu, S.S.,Levin-Konigsberg, R.,Handjaya, J.,Schapira, M.,Chau, I.,Perveen, S.,Ng, H.L.,Kaniskan, H.U.,Han, Y.,Singh, S.,Gorgulla, C.,Kundaje, A.,Jin, J.,Voelz, V.A.,Weber, J.,Nencka, R.,Boura, E.,Vedadi, M.,Aspuru-Guzik, A. Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes Digit Discov, 2024 Cited by DOI: 10.1039/D4DD00006DPDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.36 Å) |
Structure validation
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