9LVR

Crystal structure of SARS-CoV-2 3CL protease in complex with compound 1

This is a non-PDB format compatible entry.

Summary for 9LVR

• Entry DOI: 10.2210/pdb9lvr/pdb
• Descriptor: 3C-like proteinase nsp5, 6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-1-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: 3cl protease, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 73815.59

Authors

Unoh, Y.,Hirai, K.,Uehara, S.,Kawashima, S.,Nobori, H.,Sato, J.,Shibayama, H.,Hori, A.,Nakahara, K.,Kurahashi, K.,Takamatsu, M.,Yamamoto, S.,Zhang, O.,Tanimura, M.,Dodo, R.,Maruyama, Y.,Sawa, H.,Watari, R.,Miyano, T.,Kato, T.,Sato, T.,Tachibana, Y. (deposition date: 2025-02-12, release date: 2025-05-14)

• Primary citation: Unoh, Y.,Hirai, K.,Uehara, S.,Kawashima, S.,Nobori, H.,Sato, J.,Shibayama, H.,Hori, A.,Nakahara, K.,Kurahashi, K.,Takamatsu, M.,Yamamoto, S.,Zhang, O.,Tanimura, M.,Dodo, R.,Maruyama, Y.,Sawa, H.,Watari, R.,Miyano, T.,Kato, T.,Sato, T.,Tachibana, Y.; Discovery of The Clinical Candidate S-892216: A Second-Generation of SARS-CoV-2 3CL Protease Inhibitor for Treating COVID-19; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.2 Å)