8UHO
Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365096A
Summary for 8UHO
Entry DOI | 10.2210/pdb8uho/pdb |
Descriptor | 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-[(2S,3Z)-1-[(2S)-oxolan-2-yl]-3-(2-oxooxolan-3-ylidene)propan-2-yl]-L-leucinamide (3 entities in total) |
Functional Keywords | 3cl protease, sars, viral protein, hydrolase |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 2 |
Total formula weight | 68898.52 |
Authors | |
Primary citation | Barton, L.S.,Callahan, J.F.,Cantizani, J.,Concha, N.O.,Cotillo Torrejon, I.,Goodwin, N.C.,Joshi-Pangu, A.,Kiesow, T.J.,McAtee, J.J.,Mellinger, M.,Nixon, C.J.,Padron-Barthe, L.,Patterson, J.R.,Pearson, N.D.,Pouliot, J.J.,Rendina, A.R.,Buitrago Santanilla, A.,Schneck, J.L.,Sanz, O.,Thalji, R.K.,Ward, P.,Williams, S.P.,King, B.W. Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement. Bioorg.Med.Chem., 100:117618-117618, 2024 Cited by PubMed: 38309201DOI: 10.1016/j.bmc.2024.117618 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.02 Å) |
Structure validation
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