5RGS
 
 | | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1259086950 (Mpro-x1163) | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol | | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | 登録日 | 2020-04-07 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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6M2N
 | | SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor | | 分子名称: | 3C-like proteinase, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | | 著者 | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | | 登録日 | 2020-02-28 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients.
Acta Pharmacol.Sin., 41, 2020
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6M2Q
 | | SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21) | | 分子名称: | 3C-like proteinase | | 著者 | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | | 登録日 | 2020-02-28 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients.
Acta Pharmacol.Sin., 41, 2020
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6WCF
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 3 | | 著者 | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-03-30 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.065 Å) | | 主引用文献 | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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6WEN
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in the apo form | | 分子名称: | CHLORIDE ION, Non-structural protein 3 | | 著者 | Michalska, K, Stols, L, Jedrzejczak, R, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-04-02 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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6YLA
 | | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | | 登録日 | 2020-04-06 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
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6WIQ
 | | Crystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2 | | 分子名称: | Non-structural protein 7, Non-structural protein 8 | | 著者 | Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-04-10 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
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6WJI
 | | 2.05 Angstrom Resolution Crystal Structure of C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein from SARS-CoV-2 | | 分子名称: | CHLORIDE ION, Nucleoprotein | | 著者 | Minasov, G, Shuvalova, L, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-04-13 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | | 主引用文献 | Serodominant SARS-CoV-2 Nucleocapsid Peptides Map to Unstructured Protein Regions.
Microbiol Spectr, 2023
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6WJT
 | | 2.0 Angstrom Resolution Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with S-Adenosyl-L-Homocysteine | | 分子名称: | 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ... | | 著者 | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-04-14 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
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7BQY
 | | THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | | 分子名称: | 3C-like proteinase, 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 | | 著者 | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | 登録日 | 2020-03-26 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
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7BV1
 | | Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex | | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | | 著者 | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | | 登録日 | 2020-04-09 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
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7BV2
 | | The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP) | | 分子名称: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | 著者 | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | | 登録日 | 2020-04-09 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
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6LZE
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11a | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | 著者 | Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | 登録日 | 2020-02-19 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.505 Å) | | 主引用文献 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
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6M0K
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | 著者 | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | 登録日 | 2020-02-22 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | | 主引用文献 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
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6W37
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6WEY
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6WKP
 | | Crystal structure of RNA-binding domain of nucleocapsid phosphoprotein from SARS CoV-2, monoclinic crystal form | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | | 著者 | Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-04-16 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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6WKQ
 | | 1.98 Angstrom Resolution Crystal Structure of NSP16-NSP10 Heterodimer from SARS-CoV-2 in Complex with Sinefungin | | 分子名称: | 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ... | | 著者 | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-04-16 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
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6WLC
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-5'-Monophosphate | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | 著者 | Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Chang, C, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-04-19 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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6YHU
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6YM0
 | | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1) | | 分子名称: | Spike glycoprotein, heavy chain, light chain | | 著者 | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | | 登録日 | 2020-04-07 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (4.36 Å) | | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | 分子名称: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, 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 | 2020-04-14 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-01-24 | | 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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6YOR
 | | Structure of the SARS-CoV-2 spike S1 protein in complex with CR3022 Fab | | 分子名称: | IgG H chain, IgG L chain, Spike glycoprotein | | 著者 | Huo, J, Zhao, Y, Ren, J, Zhou, D, Duyvesteyn, H.M.E, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I. | | 登録日 | 2020-04-15 | | 公開日 | 2020-04-29 | | 最終更新日 | 2022-04-06 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
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7BUY
 | | The crystal structure of COVID-19 main protease in complex with carmofur | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid | | 著者 | Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z. | | 登録日 | 2020-04-08 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
Nat.Struct.Mol.Biol., 27, 2020
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6WKS
 | | Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine | | 分子名称: | 1,2-ETHANEDIOL, 2'-O-methyltransferase, ADENOSINE, ... | | 著者 | Gupta, Y.K, Viswanathan, T, Arya, S, Qi, S, Misra, A, Chan, S.-H. | | 登録日 | 2020-04-16 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis of RNA cap modification by SARS-CoV-2.
Nat Commun, 11, 2020
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