PDB: 2203 件ウェブページステータス検索Chemie searchBIRD

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6ZEG	Structure of PP1-IRSp53 chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580) 分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, MANGANESE (II) ION, ... 著者 Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M. 登録日 2020-06-16 公開日 2020-09-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme. Elife, 9, 2020
7QBB	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18 分子名称: 3C-like proteinase nsp5, 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2021-11-18 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7BIJ	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 13 分子名称: (3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2021-01-12 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
3WCQ	Crystal structure analysis of Cyanidioschyzon melorae ferredoxin D58N mutant 分子名称: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin 著者 Ueno, Y, Matsumoto, T, Yamano, A, Imai, T, Morimoto, Y. 登録日 2013-05-31 公開日 2013-08-07 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (0.97 Å) 主引用文献 Increasing the electron-transfer ability of Cyanidioschyzon merolae ferredoxin by a one-point mutation - A high resolution and Fe-SAD phasing crystal structure analysis of the Asp58Asn mutant Biochem.Biophys.Res.Commun., 436, 2013
7AU4	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 3 分子名称: (3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2020-11-02 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7B2J	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 5 分子名称: 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... 著者 Talibov, V.O. 登録日 2020-11-27 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7B2U	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1 分子名称: (5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2020-11-27 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7B5Z	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 6 分子名称: 2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2020-12-07 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7B77	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 8 分子名称: 2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2020-12-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
3WVX	Structure of D48A hen egg white lysozyme 分子名称: Lysozyme C 著者 Kawaguchi, Y, Yoneda, K, Araki, T. 登録日 2014-06-10 公開日 2015-06-10 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 The role of Asp48 in the hydrogen bonding network involving Asp52 of hen egg white lysozyme TO BE PUBLISHED
3WVY	Structure of D48A hen egg white lysozyme in complex with (GlcNAc)4 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C 著者 Kawaguchi, Y, Yoneda, K, Araki, T. 登録日 2014-06-11 公開日 2015-06-10 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 The role of Asp48 in the hydrogen bonding network involving Asp52 of hen egg white lysozyme TO BE PUBLISHED
9BOO	Crystal structure of MERS-CoV Nsp5 in complex with PF-07817883 分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide 著者 Chen, P, Arutyunova, E, Lemieux, M.J. 登録日 2024-05-05 公開日 2024-08-07 最終更新日 2024-09-18 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M pro ) of SARS-CoV-2 and MERS-CoV. Jacs Au, 4, 2024
7DVW	SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate 著者 Liu, X, Zhao, Y, Yang, H, Rao, Z. 登録日 2021-01-15 公開日 2022-01-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
7NBT	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21 分子名称: 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2021-01-27 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
7NEO	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15 分子名称: 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2021-02-04 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
2L80	Solution Structure of the Zinc Finger Domain of USP13 分子名称: Ubiquitin carboxyl-terminal hydrolase 13, ZINC ION 著者 Zhang, Y, Zhou, C, Zhou, Z, Song, A, Hu, H. 登録日 2010-12-28 公開日 2011-12-14 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Biochemical Characterization of the Ubiquitin Receptors in USP13 Reveals Different Catalytic Activation of Deubiquitination from Its Analogue USP5 To be Published
8DJJ	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. 登録日 2022-06-30 公開日 2023-04-26 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DI3	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. 登録日 2022-06-28 公開日 2023-05-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DKZ	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. 登録日 2022-07-06 公開日 2023-04-26 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DKK	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. 登録日 2022-07-05 公開日 2023-05-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DMN	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. 登録日 2022-07-08 公開日 2023-05-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DK8	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. 登録日 2022-07-04 公開日 2023-05-17 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DKH	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. 登録日 2022-07-05 公開日 2023-05-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DKJ	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. 登録日 2022-07-05 公開日 2023-05-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DKL	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. 登録日 2022-07-05 公開日 2023-05-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023

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