6JME
 
 | | Crystal structure of human DHODH in complex with inhibitor 0946 | | 分子名称: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Yu, Y, Chen, Q. | | 登録日 | 2019-03-08 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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5Z1S
 | | Crystal Structure Analysis of the BRD4(1) | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | 登録日 | 2017-12-28 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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5Z1R
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | 登録日 | 2017-12-28 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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6LG3
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6LP6
 | | Crystal structure of human DHODH in complex with inhibitor 1214 | | 分子名称: | 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Chen, Q, Yu, Y. | | 登録日 | 2020-01-09 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.795 Å) | | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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6LP8
 | | Crystal structure of human DHODH in complex with inhibitor 1243 | | 分子名称: | 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Chen, Q, Yu, Y. | | 登録日 | 2020-01-09 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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7WLY
 | | Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down- and 2 up RBDs) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, ... | | 著者 | Wang, X, Zhu, Y. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-25 | | 最終更新日 | 2022-06-22 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | 35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
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7WLZ
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7DEO
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | | 著者 | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | | 登録日 | 2020-11-04 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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7DET
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | | 著者 | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | | 登録日 | 2020-11-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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7DEU
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | | 著者 | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | | 登録日 | 2020-11-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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6LP7
 | | Crystal structure of human DHODH in complex with inhibitor 0944 | | 分子名称: | 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Chen, Q, Yu, Y. | | 登録日 | 2020-01-09 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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5Z1T
 | | Crystal Structure Analysis of the BRD4(1) | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | 登録日 | 2017-12-28 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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3GYN
 | | Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor | | 分子名称: | N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | 著者 | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | 登録日 | 2009-04-04 | | 公開日 | 2009-12-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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6K5M
 | | The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa (Rice) | | 分子名称: | Serotonin N-acetyltransferase 1, chloroplastic | | 著者 | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | 登録日 | 2019-05-29 | | 公開日 | 2020-06-03 | | 最終更新日 | 2021-09-22 | | 実験手法 | X-RAY DIFFRACTION (1.793 Å) | | 主引用文献 | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7YP1
 | | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement) | | 分子名称: | 10E4 heavy chain, 10E4 light chain, EBV gH, ... | | 著者 | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | | 登録日 | 2022-08-02 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | | 主引用文献 | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
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7YOY
 | | Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement) | | 分子名称: | 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ... | | 著者 | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | | 登録日 | 2022-08-02 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.64 Å) | | 主引用文献 | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
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7YP2
 | | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement) | | 分子名称: | 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H | | 著者 | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | | 登録日 | 2022-08-02 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | | 主引用文献 | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
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3IGV
 | | Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor | | 分子名称: | N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | | 著者 | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | 登録日 | 2009-07-28 | | 公開日 | 2009-12-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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5URA
 | | Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP7 | | 分子名称: | (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, brain, ... | | 著者 | Hsu, H.-C, Li, H. | | 登録日 | 2017-02-09 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85002172 Å) | | 主引用文献 | The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites.
Biochemistry, 56, 2017
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6JM5
 | | Crystal structure of TBC1D23 C terminal domain | | 分子名称: | SODIUM ION, TBC1 domain family member 23 | | 著者 | Sun, Q, Huang, W. | | 登録日 | 2019-03-07 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural and functional studies of TBC1D23 C-terminal domain provide a link between endosomal trafficking and PCH.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5YT4
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5W07
 | | CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | | 分子名称: | (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine, Enoyl-[acyl-carrier-protein] reductase [NADH] | | 著者 | Abendroth, J, Edwards, T.E, Lorimer, D. | | 登録日 | 2017-05-30 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of a cofactor-independent inhibitor of Mycobacterium tuberculosis InhA
To Be Published
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5Z8O
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6JTP
 | | Crystal structure of HLA-C08 in complex with a tumor mut9m peptide | | 分子名称: | 9-mer peptide, Beta-2-microglobulin, HLA class I antigen, ... | | 著者 | Bai, P, Zhou, Q, Wei, P, Lei, Y. | | 登録日 | 2019-04-11 | | 公開日 | 2020-04-15 | | 最終更新日 | 2021-02-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
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