4TWY
Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor
Summary for 4TWY
Entry DOI | 10.2210/pdb4twy/pdb |
Related | 4TWW 4TWY |
Descriptor | 3C-like proteinase, (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal (3 entities in total) |
Functional Keywords | hydrase proteinase converting, designed inhibitor, hydrase-inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Human SARS coronavirus (SARS-CoV) |
Total number of polymer chains | 1 |
Total formula weight | 34303.21 |
Authors | Akaji, K.,Teruya, K.,Shimamoto, Y.,Sanjho, A.,Yamashita, E.,Nakagawa, A. (deposition date: 2014-07-02, release date: 2015-02-18, Last modification date: 2023-11-08) |
Primary citation | Shimamoto, Y.,Hattori, Y.,Kobayashi, K.,Teruya, K.,Sanjoh, A.,Nakagawa, A.,Yamashita, E.,Akaji, K. Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors Bioorg.Med.Chem., 23:876-890, 2015 Cited by PubMed: 25614110DOI: 10.1016/j.bmc.2014.12.028 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
Download full validation report