7V1T
| A dual Inhibitor Against Main Protease | Descriptor: | 3C-like proteinase, 5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide | Authors: | Yu, W.Y, Xiao, Y.B, Zhao, Y.C. | Deposit date: | 2021-08-06 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.562 Å) | Cite: | SARS-CoV-2 Mpro complex with inhibitor To Be Published
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7DCD
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7KOL
| The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496 inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-11-09 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496 to be published
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9CSY
| SARS-CoV-2 papain-like protease (PLpro) bound to PF-07957472 | Descriptor: | 2-methyl-5-(4-methylpiperazin-1-yl)-N-{1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]cyclopropyl}benzamide, Papain-like protease, ZINC ION, ... | Authors: | Mashalidis, E.H, Chang, J.S, Wu, H, Garnsey, M. | Deposit date: | 2024-07-24 | Release date: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | Discovery of SARS-CoV-2 papain-like protease (PL pro ) inhibitors with efficacy in a murine infection model. Sci Adv, 10, 2024
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8AJ1
| SARS-CoV-2 Mpro in Complex with RK-107 | Descriptor: | (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide, 3C-like proteinase nsp5 | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-07-27 | Release date: | 2024-09-11 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | SARS-CoV-2 Mpro in Complex with RK-107 To Be Published
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9EWM
| Mpro from SARS-CoV-2 with R4Q R298Q double mutations | Descriptor: | Non-structural protein 11 | Authors: | Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K. | Deposit date: | 2024-04-04 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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8GWM
| SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP | Descriptor: | 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), Helicase, Non-structural protein 7, ... | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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7WZO
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7CZ4
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8GWE
| SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP | Descriptor: | Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ... | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-16 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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7TZJ
| SARS CoV-2 PLpro in complex with inhibitor 3k | Descriptor: | DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ... | Authors: | Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D. | Deposit date: | 2022-02-15 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors. Front Chem, 10, 2022
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6W9C
| The crystal structure of papain-like protease of SARS CoV-2 | Descriptor: | CHLORIDE ION, Non-structural protein 3, ZINC ION | Authors: | Osipiuk, J, Jedrzejczak, R, Tesar, C, Endres, M, Stols, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-22 | Release date: | 2020-04-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure of papain-like protease of SARS CoV-2 to be published
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8GZB
| SARS-CoV-2 3CLpro | Descriptor: | 1,2-ETHANEDIOL, 2-(4-chlorophenyl)-1,3,4-oxadiazole, 3C-like proteinase nsp5 | Authors: | Wang, F, Cen, Y.X, Tian, P. | Deposit date: | 2022-09-26 | Release date: | 2023-09-27 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Nature-inspired catalytic asymmetric rearrangement of cyclopropylcarbinyl cation. Sci Adv, 9, 2023
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8JOP
| Crystal structure of the SARS-CoV-2 main protease in complex with 11a | Descriptor: | 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | Authors: | Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J. | Deposit date: | 2023-06-08 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease. Bioorg.Med.Chem.Lett., 92, 2023
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8GWK
| SARS-CoV-2 RNA E-RTC complex with RMP-nsp9 and GMPPNP | Descriptor: | Helicase, MAGNESIUM ION, Non-structural protein 7, ... | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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7KRX
| The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder441 inhibitor | Descriptor: | 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-11-20 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder441 to be published
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8YA5
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7SDR
| Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-29 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor To be Published
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7DAT
| The crystal structure of COVID-19 main protease treated by AF | Descriptor: | COVID-19 MAIN PROTEASE, GOLD ION | Authors: | He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y. | Deposit date: | 2020-10-18 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster. Nano Today, 44, 2022
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8GWB
| SARS-CoV-2 E-RTC complex with RNA-nsp9 | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-16 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8SXO
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7LBS
| SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-24 | Descriptor: | 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide, BORIC ACID, GLYCEROL, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-01-08 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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8UUH
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8HOZ
| Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Lin, M, Liu, X. | Deposit date: | 2022-12-11 | Release date: | 2023-12-13 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir To Be Published
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8UUF
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941 | Descriptor: | ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ... | Authors: | Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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