7L8J
| SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21212) | 分子名称: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | 著者 | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | 登録日 | 2020-12-31 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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7BF4
| Crystal structure of SARS-CoV-2 macrodomain in complex with GMP | 分子名称: | 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, NSP3 macrodomain | 著者 | Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-31 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 2021
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7L7F
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7L7K
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7L7A
| Solution Structure of NuxVA | 分子名称: | NuxVA | 著者 | Mari, F, Dovell, S. | 登録日 | 2020-12-28 | 公開日 | 2021-01-13 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Conus venom fractions inhibit the adhesion of Plasmodium falciparum erythrocyte membrane protein 1 domains to the host vascular receptors. J Proteomics, 234, 2020
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7BE7
| Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | 登録日 | 2020-12-22 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L. Int J Mol Sci, 22, 2021
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7DPV
| SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin | 分子名称: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase | 著者 | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | 登録日 | 2020-12-21 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPU
| SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin | 分子名称: | 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL | 著者 | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | 登録日 | 2020-12-21 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPP
| SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin | 分子名称: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase | 著者 | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | 登録日 | 2020-12-21 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7L4Z
| Structure of SARS-CoV-2 spike RBD in complex with cyclic peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-DTY-LYS-ALA-GLY-VAL-VAL-TYR-GLY-TYR-ASN-ALA-TRP-ILE-ARG-CYS-NH2, Spike protein S1 | 著者 | Christie, M, Mackay, J.P, Passioura, T, Payne, R.J. | 登録日 | 2020-12-21 | 公開日 | 2021-06-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.96 Å) | 主引用文献 | Discovery of Cyclic Peptide Ligands to the SARS-CoV-2 Spike Protein Using mRNA Display. Acs Cent.Sci., 7, 2021
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7L5D
| The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-12-21 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2. Science, 373, 2021
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7DPM
| Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 Fab | 分子名称: | 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, Spike protein S1, ... | 著者 | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | 登録日 | 2020-12-20 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.304 Å) | 主引用文献 | Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV. Mabs, 13, 2021
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7L3N
| SARS-CoV 2 Spike Protein bound to LY-CoV555 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV555 Fab heavy chain, ... | 著者 | Goldsmith, J.A, McLellan, J.S. | 登録日 | 2020-12-18 | 公開日 | 2021-02-03 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | LY-CoV555, a rapidly isolated potent neutralizing antibody, provides protection in a non-human primate model of SARS-CoV-2 infection. Biorxiv, 2020
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7L2E
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7L2F
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7L2D
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7BB2
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.6A resolution (spacegroup P2(1)2(1)2(1)) | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | 登録日 | 2020-12-16 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L. Int J Mol Sci, 22, 2021
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7L2C
| Crystallographic structure of neutralizing antibody 2-51 in complex with SARS-CoV-2 spike N-terminal domain (NTD) | 分子名称: | 2-51 heavy chain, 2-51 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Cerutti, G, Reddem, E.R, Shapiro, L. | 登録日 | 2020-12-16 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | 主引用文献 | Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite. Cell Host Microbe, 29, 2021
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7L12
| CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 14 | 分子名称: | (5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase | 著者 | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-12-14 | 公開日 | 2021-03-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7, 2021
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7L14
| CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 26 | 分子名称: | 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile, 3C-like proteinase | 著者 | Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-12-14 | 公開日 | 2021-03-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7, 2021
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7L13
| CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 21 | 分子名称: | (5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase | 著者 | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-12-14 | 公開日 | 2021-03-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7, 2021
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7L11
| CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 5 | 分子名称: | 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase | 著者 | Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-12-14 | 公開日 | 2021-03-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7, 2021
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7L1F
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7DOK
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7DOI
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