8EJ9
 
 | |
7RVU
 | |
7RW1
 | |
7S72
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI36 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | | 登録日 | 2021-09-15 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
|
|
7C2I
 | | Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization) | | 分子名称: | 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ... | | 著者 | Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W. | | 登録日 | 2020-05-07 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
|
|
7W9G
 | | Complex structure of Mpro with ebselen-derivative inhibitor | | 分子名称: | 3C-like proteinase nsp5, SELENIUM ATOM | | 著者 | Sahoo, P, Kumar, A. | | 登録日 | 2021-12-09 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
|
|
7P2G
 | |
7UU8
 | |
7AAP
 | | Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP | | 分子名称: | MAGNESIUM ION, Non-structural protein 12, Non-structural protein 7, ... | | 著者 | Naydenova, K, Muir, K.W, Wu, L.F, Zhang, Z, Coscia, F, Peet, M, Castro-Hartman, P, Qian, P, Sader, K, Dent, K, Kimanius, D, Sutherland, J.D, Lowe, J, Barford, D, Russo, C.J. | | 登録日 | 2020-09-04 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N33
 | | SARS-CoV-2 Nsp15 endoribonuclease pre-cleavage state | | 分子名称: | RNA (5'-R(*A)-D(*(UFT))-R(P*A)-3'), Uridylate-specific endoribonuclease | | 著者 | Frazier, M.N, Dillard, L.B, Krahn, J.M, Stanley, R.E. | | 登録日 | 2021-05-31 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Characterization of SARS2 Nsp15 nuclease activity reveals it's mad about U.
Nucleic Acids Res., 49, 2021
|
|
7R1U
 | | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor | | 分子名称: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | | 登録日 | 2022-02-03 | | 公開日 | 2022-06-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16.
Protein Sci., 31, 2022
|
|
8GVY
 | |
7N0D
 | |
6YWL
 | | Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, ... | | 著者 | Schroeder, M, Ni, X, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-29 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 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
|
|
7JVZ
 | |
8A4T
 | | crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | 著者 | Ibrahim, M, Hilgenfeld, R, Zhang, L. | | 登録日 | 2022-06-13 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
|
|
7MLG
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63 | | 分子名称: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase | | 著者 | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | | 登録日 | 2021-04-28 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
|
|
7LW4
 | | Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of S-adenosyl-L-homocysteine (SAH) | | 分子名称: | 1,2-ETHANEDIOL, 2'-O-methyltransferase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Gupta, Y.K, Viswanathan, T, Misra, A, Qi, S. | | 登録日 | 2021-02-27 | | 公開日 | 2021-05-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A metal ion orients SARS-CoV-2 mRNA to ensure accurate 2'-O methylation of its first nucleotide.
Nat Commun, 12, 2021
|
|
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
|
|
7CJD
 | |
8FIV
 | |
8DJJ
 | |
7VVT
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor | | 分子名称: | 3C-like proteinase, N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide | | 著者 | Su, H, Nie, T, Li, M, Xu, Y. | | 登録日 | 2021-11-08 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease.
Eur.J.Med.Chem., 231, 2022
|
|
5S72
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with BBL029427 | | 分子名称: | CITRIC ACID, N-(2-aminoethyl)-N'-phenylurea, Uridylate-specific endoribonuclease | | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | 登録日 | 2020-11-13 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.512 Å) | | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
|
|
5SA6
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2856434783 | | 分子名称: | N-benzyl-1-(4-fluorophenyl)methanamine, Uridylate-specific endoribonuclease | | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | 登録日 | 2021-05-19 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.517 Å) | | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
|
|
