8DOY

Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198

Summary for 8DOY

Entry DOI	10.2210/pdb8doy/pdb
Descriptor	3C-like proteinase nsp5, PENTAETHYLENE GLYCOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... (7 entities in total)
Functional Keywords	3c-like proteinase, viral protein, sars-cov-2, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	2
Total formula weight	68637.31
Authors	Bulut, H.,Hayashi, H.,Tsuji, K.,Kuwata, N.,Das, D.,Tamamura, H.,Mitsuya, H. (deposition date: 2022-07-14, release date: 2022-08-24, Last modification date: 2023-10-25)
Primary citation	Tsuji, K.,Ishii, T.,Kobayakawa, T.,Higashi-Kuwata, N.,Azuma, C.,Nakayama, M.,Onishi, T.,Nakano, H.,Wada, N.,Hori, M.,Shinohara, K.,Miura, Y.,Kawada, T.,Hayashi, H.,Hattori, S.I.,Bulut, H.,Das, D.,Takamune, N.,Kishimoto, N.,Saruwatari, J.,Okamura, T.,Nakano, K.,Misumi, S.,Mitsuya, H.,Tamamura, H. Potent and biostable inhibitors of the main protease of SARS-CoV-2. Iscience, 25:105365-105365, 2022 Cited by PubMed: 36338434 DOI: 10.1016/j.isci.2022.105365 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.59 Å)

Structure validation