6XJ0
| Crystal structure of multi-copper oxidase from Pediococcus pentosaceus | 分子名称: | CHLORIDE ION, COPPER (II) ION, CU-O-CU LINKAGE, ... | 著者 | Pardo, I, Soares, A.S, Collins, R, Partowmah, S.H, Coler, E.A. | 登録日 | 2020-06-22 | 公開日 | 2021-03-10 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species. Microb Biotechnol, 14, 2021
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6LXT
| Structure of post fusion core of 2019-nCoV S2 subunit | 分子名称: | Spike protein S2, TETRAETHYLENE GLYCOL, ZINC ION | 著者 | Zhu, Y, Sun, F. | 登録日 | 2020-02-11 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion. Cell Res., 30, 2020
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3CLX
| Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac005 | 分子名称: | (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | 著者 | Milani, M, Mastrangelo, E, Cossu, F. | 登録日 | 2008-03-20 | 公開日 | 2008-10-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles. J.Mol.Biol., 384, 2008
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7AS0
| Influenza A PB2 in complex with VX-787 | 分子名称: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, BROMIDE ION, Polymerase basic protein 2 | 著者 | Radilova, K, Brynda, J. | 登録日 | 2020-10-26 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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7AS1
| Influenza A PB2 (F404Y mutation) in complex with VX-787 | 分子名称: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, CHLORIDE ION, Polymerase basic protein 2 | 著者 | Radilova, K, Brynda, J. | 登録日 | 2020-10-26 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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7AS2
| Influenza A PB2 (M431 mutation) in complex with VX-787 | 分子名称: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2 | 著者 | Radilova, K, Brynda, J. | 登録日 | 2020-10-26 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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7AS3
| Influenza A PB2 (H357N mutation) in complex with VX-787 | 分子名称: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2 | 著者 | Radilova, K, Brynda, J. | 登録日 | 2020-10-26 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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6YLT
| Translation initiation factor 4E in complex with 3-MeBn7GpppG mRNA 5' cap analog | 分子名称: | Eukaryotic translation initiation factor 4E, [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | 著者 | Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J. | 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 (2.67 Å) | 主引用文献 | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation. Pharmaceutics, 13, 2021
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6Y4J
| Engineered Fructosyl Peptide Oxidase | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase, GLYCEROL, ... | 著者 | Donini, S, Rigoldi, F, Gautieri, A, Parisini, E. | 登録日 | 2020-02-21 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel. Biotechnol.Bioeng., 117, 2020
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6UX5
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6YLR
| Translation initiation factor 4E in complex with bn7GpppG mRNA 5' cap analog | 分子名称: | Eukaryotic translation initiation factor 4E, bn7GpppG mRNA 5' cap analog | 著者 | Kubacka, D, Wojcik, R, Baranowski, M.R, Warminski, M, Kowalska, J, Jemielity, J. | 登録日 | 2020-04-07 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1954546 Å) | 主引用文献 | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation. Pharmaceutics, 13, 2021
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6MXR
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6YRP
| Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31) | 分子名称: | 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ... | 著者 | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | 登録日 | 2020-04-20 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 208, 2020
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6YLV
| Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog | 分子名称: | 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL | 著者 | Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J. | 登録日 | 2020-04-07 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.66005659 Å) | 主引用文献 | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation. Pharmaceutics, 13, 2021
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6MY4
| Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR] | 分子名称: | 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain | 著者 | Shi, R, Picard, M.-E, Manenda, M. | 登録日 | 2018-11-01 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Binding symmetry and surface flexibility mediate antibody self-association. Mabs, 11, 2019
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6W3F
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6W40
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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
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6MXS
| Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M] | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | 著者 | Shi, R, Picard, M.-E, Manenda, M.S. | 登録日 | 2018-10-31 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Binding symmetry and surface flexibility mediate antibody self-association. Mabs, 11, 2019
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6VSL
| Crystal structure of a human fucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Tolbert, W.D, Pazgier, M. | 登録日 | 2020-02-11 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells. J.Virol., 95, 2021
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6VSZ
| Crystal structure of a human afucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana) | 分子名称: | Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Tolbert, W.D, Pazgier, M. | 登録日 | 2020-02-12 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells. J.Virol., 95, 2021
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7B2U
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7B77
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7B5Z
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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
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