7V7M
| crystal structure of SARS-CoV-2 3CL protease | Descriptor: | 3C-like proteinase | Authors: | Yi, Y, Zhang, M, Ye, M. | Deposit date: | 2021-08-21 | Release date: | 2022-06-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19. Acta Pharm Sin B, 12, 2022
|
|
7VVP
| Crystal structure of SARS-Cov-2 main protease in complex with PF07304814 | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J. | Deposit date: | 2021-11-07 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814 J.Mol.Biol., 434, 2022
|
|
7WQ9
| Crystal structure of SARS-CoV-2 main protease in complex with Z-IETD-FMK | Descriptor: | 3C-like proteinase, Z-IETD-FMK | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with Z-IETD-FMK To Be Published
|
|
7WQ8
| Crystal structure of SARS-CoV-2 main protease in complex with Z-DEVD-FMK | Descriptor: | 3C-like proteinase, Z-DEVD-FMK | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-24 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with Z-DEVD-FMK To Be Published
|
|
7WQB
| SARS-CoV-2 main protease mutant (P168A) in complex with MG-132 | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | SARS-CoV-2 main protease mutant (P168A) in complex with MG-132 To Be Published
|
|
7WQK
| wild-type SARS-CoV-2 main protease in complex with MG-132 | Descriptor: | 3C-like proteinase, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | wild-type SARS-CoV-2 main protease in complex with MG-132 To Be Published
|
|
7WYM
| Structure of the SARS-COV-2 main protease with 337 inhibitor | Descriptor: | 3C-like proteinase nsp5, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | Deposit date: | 2022-02-16 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease. Acta Pharm Sin B, 12, 2022
|
|
7WYP
| Structure of the SARS-COV-2 main protease with EN102 inhibitor | Descriptor: | 3C-like proteinase, N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | Deposit date: | 2022-02-16 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease. Acta Pharm Sin B, 12, 2022
|
|
7XB3
| |
7XAX
| |
7XB4
| Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with PF07321332 | 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, Replicase polyprotein 1a | Authors: | Hu, X.H, Li, J, Zhang, J. | Deposit date: | 2022-03-20 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with PF07321332 To Be Published
|
|
7XJW
| Crystal structure of canine coronavirus main protease in complex with GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ORF1a polyprotein | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chiu, Y.F, Chen, Y. | Deposit date: | 2022-04-18 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A Structural Comparison of SARS-CoV-2 Main Protease and Animal Coronaviral Main Protease Reveals Species-Specific Ligand Binding and Dimerization Mechanism. Int J Mol Sci, 23, 2022
|
|
7WQA
| SARS-CoV-2 main protease in complex with Z-VAD-FMK | Descriptor: | 3C-like proteinase, Z-VAD(OMe)-FMK | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SARS-CoV-2 main protease in complex with Z-VAD-FMK To Be Published
|
|
7WKU
| Structure of PDCoV Mpro in complex with an inhibitor | Descriptor: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Peptidase C30 | Authors: | Wang, F.H, Yang, H.T. | Deposit date: | 2022-01-11 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Structure of the Porcine Deltacoronavirus Main Protease Reveals a Conserved Target for the Design of Antivirals. Viruses, 14, 2022
|
|
7VFB
| the complex of SARS-CoV2 3cl and NB2B4 | Descriptor: | 3C-like proteinase, nb2b4 | Authors: | Geng, Y, Sun, Z.C, Wang, L. | Deposit date: | 2021-09-11 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An extended conformation of SARS-CoV-2 main protease reveals allosteric targets. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7VIC
| The crystal structure of SARS-CoV-2 3C-like protease in complex with a traditional Chinese Medicine Inhibitors | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase | Authors: | Zhong, B, Chen, B, Zhou, H, Sun, L. | Deposit date: | 2021-09-26 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Oridonin Inhibits SARS-CoV-2 by Targeting Its 3C-Like Protease. Small Sci, 2, 2022
|
|
7VFA
| the complex of SARS-CoV2 3CL and NB1A2 | Descriptor: | 3C-like proteinase, NB1A2, SULFATE ION | Authors: | Sun, Z.C, Wang, L, Geng, Y. | Deposit date: | 2021-09-11 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An extended conformation of SARS-CoV-2 main protease reveals allosteric targets. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7VTC
| Crystal structure of MERS main protease in complex with PF07321332 | 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 | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2021-10-28 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53865623 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
|
|
7VLQ
| Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121 | 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 | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.939106 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
|
|
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
|
|
7VLO
| Crystal structure of SARS coronavirus main protease in complex with PF07321332 | 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 | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.0227 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
|
|
7VLP
| Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211 | 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, Replicase polyprotein 1a | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.50251937 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
|
|
7VAH
| |
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
|
|
7WOF
| SARS-CoV-2 3CLpro | Descriptor: | (2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase | Authors: | Wang, Y, Ye, S. | Deposit date: | 2022-01-21 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions. Int J Mol Sci, 23, 2022
|
|