Crystal structure of SARS-CoV-2 3CL protease with inhibitor 2

Crystal structure of SARS-CoV-2 3CL protease with inhibitor 2 Descriptor: 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[3-(dimethylamino)propyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide, 3C-like proteinase nsp5 Authors: Forouhar, F, Liu, H, Zack, A, Iketani, S, Williams, A, Vaz, D.R, Habashi, D.L, Resnick, S.J, Chavez, A, Ho, D.D, Stockwell, B.R. Deposit date: 2023-09-29 Release date: 2024-12-25 Last modified: 2025-01-15 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening. Nat Commun, 16, 2025结合抑制剂2的严重急性呼吸综合征冠状病毒2（SARS-CoV-2）3CL蛋白酶晶体结构 描述符：2-氰基-D-苯丙氨酰基-2,4-二氯-N-[(2S)-4-{[3-(二甲氨基)丙基]氨基}-1-(4-氟苯基)-4-氧代丁-2-基]-D-苯丙氨酰胺，3C样蛋白酶nsp5 作者：Forouhar, F、Liu, H、Zack, A、Iketani, S、Williams, A、Vaz, D.R、Habashi, D.L、Resnick, S.J、Chavez, A、Ho, D.D、Stockwell, B.R 提交日期：2023-09-29 发布日期：2024-12-25 最后修改日期：2025-01-15 实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.1埃（Å） 引用文献：基于DNA编码化学文库筛选开发小分子非共价冠状病毒3CL蛋白酶抑制剂，《自然·通讯》（Nature Communications，Nat Commun），16卷，2025年