7OAU
 
 | | Nanobody C5 bound to Kent variant RBD (N501Y) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ... | | Authors: | Naismith, J.H, Mikolajek, H. | | Deposit date: | 2021-04-20 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
|
|
7RKS
 | | Structure of the SARS-CoV receptor binding domain in complex with the human neutralizing antibody Fab fragment, C118 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, C118 Antibody Fab Heavy Chain, ... | | Authors: | Jette, C.A, Bjorkman, P.J, Barnes, C.O. | | Deposit date: | 2021-07-22 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
|
|
7RKV
 | | Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C118 (State 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C118 Fab Heavy Chain, C118 Fab Light Chain, ... | | Authors: | Barnes, C.O, Jette, C.A, Bjorkman, P.J. | | Deposit date: | 2021-07-22 | | Release date: | 2021-09-22 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
|
|
7YSX
 | | Crystal structure of PDE4D complexed with licoisoflavone A | | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-08-13 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7YQF
 | | Crystal structure of PDE4D complexed with glycyrrhisoflavone | | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-08-06 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7EIN
 | | SARS-CoV-2 main proteinase complex with microbial metabolite leupeptin | | Descriptor: | 3C-like proteinase, leupeptin | | Authors: | Fu, L.F, Feng, Y, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-03-31 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of Microbial Metabolite Leupeptin in the Treatment of COVID-19 by Traditional Chinese Medicine Herbs.
Mbio, 12, 2021
|
|
7E7B
 | | Cryo-EM structure of the SARS-CoV-2 furin site mutant S-Trimer from a subunit vaccine candidate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ... | | Authors: | Zheng, S, Ma, J. | | Deposit date: | 2021-02-25 | | Release date: | 2021-03-24 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
|
|
7E7D
 | |
7C02
 | | Crystal structure of dimeric MERS-CoV receptor binding domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Dai, L, Qi, J, Gao, G.F. | | Deposit date: | 2020-04-30 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS.
Cell, 182, 2020
|
|
6ZRT
 | | Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, DIMETHYL SULFOXIDE, Main Protease | | Authors: | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | | Deposit date: | 2020-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
|
|
6ZRU
 | | Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir | | Descriptor: | DIMETHYL SULFOXIDE, Main Protease, boceprevir (bound form) | | Authors: | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | | Deposit date: | 2020-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
|
|
7AEG
 | | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
|
|
7AEH
 | | SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | | Descriptor: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
|
|
7F4W
 | | Complex structure of HLA2402 with recognizing SARS-CoV-2 epitope pep4 | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 T-cell Epitope pep4 | | Authors: | Deng, S, Jin, T. | | Deposit date: | 2021-06-21 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Profiling CD8 + T cell epitopes of COVID-19 convalescents reveals reduced cellular immune responses to SARS-CoV-2 variants.
Cell Rep, 36, 2021
|
|
7EU2
 | | Complex structure of HLA0201 with recognizing SARS-CoV-2 epitope S1 | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 T-cell Epitope S1 | | Authors: | Deng, S, Jin, T. | | Deposit date: | 2021-05-15 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Profiling CD8 + T cell epitopes of COVID-19 convalescents reveals reduced cellular immune responses to SARS-CoV-2 variants.
Cell Rep, 36, 2021
|
|
8HI9
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with Robinetin | | Descriptor: | 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Xie, H, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-11-19 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery of Polyphenolic Natural Products as SARS-CoV-2 M pro Inhibitors for COVID-19.
Pharmaceuticals, 16, 2023
|
|
8D4P
 | |
8UAC
 | | CATHEPSIN L IN COMPLEX WITH AC1115 | | Descriptor: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | Authors: | Chao, A, DuPrez, K.T, Han, F.Q. | | Deposit date: | 2023-09-20 | | Release date: | 2024-02-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
|
|
7WP6
 | | Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 36H6 heavy chain, ... | | Authors: | Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N. | | Deposit date: | 2022-01-23 | | Release date: | 2023-03-01 | | Last modified: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
|
|
7WP8
 | | Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 heavy chain, ... | | Authors: | Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N. | | Deposit date: | 2022-01-23 | | Release date: | 2023-03-08 | | Last modified: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
|
|
7EA6
 | | Crystal structure of TCR-017 ectodomain | | Descriptor: | T cell receptor 017 alpha chain, T cell receptor 017 beta chain | | Authors: | Nagae, M, Yamasaki, S. | | Deposit date: | 2021-03-06 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.18000245 Å) | | Cite: | Identification of conserved SARS-CoV-2 spike epitopes that expand public cTfh clonotypes in mild COVID-19 patients.
J.Exp.Med., 218, 2021
|
|
6XHL
 | | Covalent complex of SARS-CoV main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | | Deposit date: | 2020-06-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.471 Å) | | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
|
|
7VU6
 | | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Yamamoto, S, Yamane, J, Tachibana, Y. | | Deposit date: | 2021-11-01 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
|
|
7VTH
 | | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 | | Descriptor: | 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide, 3C-like proteinase | | Authors: | Yamamoto, S, Tachibana, Y. | | Deposit date: | 2021-10-29 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
|
|
6XHN
 | | Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | | Descriptor: | (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL, 3C-like proteinase | | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | | Deposit date: | 2020-06-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.377 Å) | | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
|
|
