8BWU

Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor

8BWU の概要

• エントリーDOI: 10.2210/pdb8bwu/pdb
• 分子名称: 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)
• 機能のキーワード: viral, sars-cov-2, covid-19, methyltransferase, rna cap, inhibitor, ss148, viral protein
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2; 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36000.26

構造登録者

Konkolova, E.,Klima, M.,Boura, E.,Jin, J.,Kaniskan, H.U.,Han, Y.,Vedadi, M. (登録日: 2022-12-07, 公開日: 2023-10-11, 最終更新日: 2024-06-26)

• 主引用文献: 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; DOI: 10.1039/D4DD00006D

実験手法

X-RAY DIFFRACTION (2.36 Å)