7JQ4
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![BU of 7jq4 by Molmil](/molmil-images/mine/7jq4) | |
7JQ0
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![BU of 7jq0 by Molmil](/molmil-images/mine/7jq0) | |
7JQ1
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![BU of 7jq1 by Molmil](/molmil-images/mine/7jq1) | |
7JPZ
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![BU of 7jpz by Molmil](/molmil-images/mine/7jpz) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1 | 分子名称: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase | 著者 | Yang, K, Liu, W. | 登録日 | 2020-08-10 | 公開日 | 2020-12-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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7JQ5
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![BU of 7jq5 by Molmil](/molmil-images/mine/7jq5) | |
7JQ3
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![BU of 7jq3 by Molmil](/molmil-images/mine/7jq3) | |
7DMU
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![BU of 7dmu by Molmil](/molmil-images/mine/7dmu) | |
7L5D
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![BU of 7l5d by Molmil](/molmil-images/mine/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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6LNN
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![BU of 6lnn by Molmil](/molmil-images/mine/6lnn) | |
7B3E
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![BU of 7b3e by Molmil](/molmil-images/mine/7b3e) | Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | 分子名称: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | 登録日 | 2020-11-30 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen. Acs Pharmacol Transl Sci, 4, 2021
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7B3Y
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![BU of 7b3y by Molmil](/molmil-images/mine/7b3y) | Structure of a nanoparticle for a COVID-19 vaccine candidate | 分子名称: | Fibronectin binding protein,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase | 著者 | Duyvesteyn, H.M.E, Stuart, D.I. | 登録日 | 2020-12-01 | 公開日 | 2021-01-13 | 最終更新日 | 2021-02-03 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | A COVID-19 vaccine candidate using SpyCatcher multimerization of the SARS-CoV-2 spike protein receptor-binding domain induces potent neutralising antibody responses. Nat Commun, 12, 2021
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7B83
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![BU of 7b83 by Molmil](/molmil-images/mine/7b83) | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | 分子名称: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-12-12 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AJP
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![BU of 7ajp by Molmil](/molmil-images/mine/7ajp) | Crystal Structure of Human Adenovirus 56 Fiber Knob | 分子名称: | 1,2-ETHANEDIOL, Fiber, GLYCEROL, ... | 著者 | Strebl, M, Mindler, K, Stehle, T. | 登録日 | 2020-09-29 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.382018 Å) | 主引用文献 | Human species D adenovirus hexon capsid protein mediates cell entry through a direct interaction with CD46. Proc.Natl.Acad.Sci.USA, 118, 2021
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7L7A
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![BU of 7l7a by Molmil](/molmil-images/mine/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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7K0F
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![BU of 7k0f by Molmil](/molmil-images/mine/7k0f) | 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | 分子名称: | 3C-like proteinase, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, TETRAETHYLENE GLYCOL | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | 登録日 | 2020-09-04 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection. Proc.Natl.Acad.Sci.USA, 118, 2021
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7BF5
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![BU of 7bf5 by Molmil](/molmil-images/mine/7bf5) | Crystal structure of SARS-CoV-2 macrodomain in complex with ADP-ribose-phosphate (ADP-ribose-2'-phosphate, ADPRP) | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, 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 (2.05 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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7BF6
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![BU of 7bf6 by Molmil](/molmil-images/mine/7bf6) | Crystal structure of SARS-CoV-2 macrodomain in complex with remdesivir metabolite GS-441524 | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3 | 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 (2.15 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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7BF3
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![BU of 7bf3 by Molmil](/molmil-images/mine/7bf3) | Crystal structure of SARS-CoV-2 macrodomain in complex with adenosine | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ... | 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 (2 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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7BF4
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![BU of 7bf4 by Molmil](/molmil-images/mine/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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7CM4
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![BU of 7cm4 by Molmil](/molmil-images/mine/7cm4) | Crystal Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody CT-P59 | 分子名称: | 1,2-ETHANEDIOL, IgG heavy chain, IgG light chain, ... | 著者 | Kim, Y.G, Jeong, J.H, Bae, J.S, Lee, J. | 登録日 | 2020-07-24 | 公開日 | 2021-01-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | A therapeutic neutralizing antibody targeting receptor binding domain of SARS-CoV-2 spike protein. Nat Commun, 12, 2021
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7KGS
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![BU of 7kgs by Molmil](/molmil-images/mine/7kgs) | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N138-146 | 分子名称: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | 登録日 | 2020-10-18 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule. Iscience, 24, 2021
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7KGT
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![BU of 7kgt by Molmil](/molmil-images/mine/7kgt) | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N226-234 | 分子名称: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | 登録日 | 2020-10-18 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule. Iscience, 24, 2021
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7KN5
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![BU of 7kn5 by Molmil](/molmil-images/mine/7kn5) | Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobodies VHH E and U | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | 登録日 | 2020-11-04 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape. Science, 371, 2021
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7KN6
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![BU of 7kn6 by Molmil](/molmil-images/mine/7kn6) | Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH V and antibody Fab CC12.3 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ... | 著者 | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | 登録日 | 2020-11-04 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape. Science, 371, 2021
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7KGR
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![BU of 7kgr by Molmil](/molmil-images/mine/7kgr) | Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N159-167 | 分子名称: | Beta-2-microglobulin, MHC class I antigen, Nucleoprotein | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | 登録日 | 2020-10-18 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule. Iscience, 24, 2021
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