6J7P
 
 | | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q co-expressed with TakA from Mycobacterium tuberculosis | | 分子名称: | MAGNESIUM ION, guanylyltransferase-like toxin | | 著者 | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | | 登録日 | 2019-01-18 | | 公開日 | 2020-05-13 | | 最終更新日 | 2020-05-20 | | 実験手法 | X-RAY DIFFRACTION (2.629 Å) | | 主引用文献 | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
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6J5E
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6J7Q
 | | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A from Mycobacterium tuberculosis | | 分子名称: | CALCIUM ION, MAGNESIUM ION, guanylyltransferase-like toxin | | 著者 | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | | 登録日 | 2019-01-18 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
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7WYP
 | | Structure of the SARS-COV-2 main protease with EN102 inhibitor | | 分子名称: | 3C-like proteinase, N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide | | 著者 | Qin, B, Hou, P, Gao, X, Cui, S. | | 登録日 | 2022-02-16 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WYL
 | | Structure of the EV71 3Cpro with 337 inhibitor | | 分子名称: | 3C protein, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | | 著者 | Qin, B, Hou, P, Gao, X, Cui, S. | | 登録日 | 2022-02-16 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WYO
 | | Structure of the EV71 3Cpro with 338 inhibitor | | 分子名称: | 3C protein, N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide | | 著者 | Qin, B, Hou, P, Gao, X, Cui, S. | | 登録日 | 2022-02-16 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | | 主引用文献 | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WYM
 | | Structure of the SARS-COV-2 main protease with 337 inhibitor | | 分子名称: | 3C-like proteinase nsp5, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | | 著者 | Qin, B, Hou, P, Gao, X, Cui, S. | | 登録日 | 2022-02-16 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7XT3
 | | Crystal Structure of Hepatitis virus A 2C protein 128-335 aa | | 分子名称: | Genome polyprotein, PHOSPHATE ION | | 著者 | Chen, P, Wojdyla, J.A, Li, Z, Wang, M, Cui, S. | | 登録日 | 2022-05-16 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Biochemical and structural characterization of hepatitis A virus 2C reveals an unusual ribonuclease activity on single-stranded RNA.
Nucleic Acids Res., 50, 2022
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7YC2
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7CDW
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7E6V
 | | The crystal structure of foot-and-mouth disease virus(FMDV) 2C protein 97-318aa | | 分子名称: | ACETATE ION, Protein 2C | | 著者 | Zhang, C, Wojdyla, J.A, Qin, B, Wang, M, Gao, X, Cui, S. | | 登録日 | 2021-02-24 | | 公開日 | 2022-06-29 | | 最終更新日 | 2022-07-20 | | 実験手法 | X-RAY DIFFRACTION (1.832 Å) | | 主引用文献 | An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein.
Cell Rep, 40, 2022
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7EK6
 | | Structure of viral peptides IPB19/N52 | | 分子名称: | Spike protein S2 | | 著者 | Yu, D, Qin, B, Cui, S, He, Y. | | 登録日 | 2021-04-04 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.243 Å) | | 主引用文献 | Structure-based design and characterization of novel fusion-inhibitory lipopeptides against SARS-CoV-2 and emerging variants.
Emerg Microbes Infect, 10, 2021
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7DHG
 | | Crystal structure of SARS-CoV-2 Orf9b complex with human TOM70 | | 分子名称: | Mitochondrial import receptor subunit TOM70, ORF9b protein | | 著者 | Gao, X, Zhu, K, Qin, B, Olieric, V, Wang, M, Cui, S. | | 登録日 | 2020-11-14 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 Orf9b in complex with human TOM70 suggests unusual virus-host interactions.
Nat Commun, 12, 2021
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7CMD
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7CJD
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7F90
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7F60
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7FEX
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6KZD
 | | Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide | | 分子名称: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION | | 著者 | Wang, Y, Zhang, Z.M. | | 登録日 | 2019-09-23 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.708 Å) | | 主引用文献 | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
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6KZC
 | | crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide | | 分子名称: | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide, NT-3 growth factor receptor | | 著者 | Zhang, Z.M, Wang, Y. | | 登録日 | 2019-09-23 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
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6GWR
 | | Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2 | | 分子名称: | 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ... | | 著者 | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2018-06-25 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 2018
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6JIJ
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4ON9
 | | DECH box helicase domain | | 分子名称: | CHLORIDE ION, Probable ATP-dependent RNA helicase DDX58, SULFATE ION | | 著者 | Deimling, T, Witte, G, Hopfner, K.P. | | 登録日 | 2014-01-28 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Crystal and solution structure of the human RIG-I SF2 domain
Acta Crystallogr.,Sect.F, 70, 2014
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5YC0
 | | Crystal structure of LP-46/N44 | | 分子名称: | Envelope glycoprotein, LP-46 | | 著者 | Zhang, X, Wang, X, He, Y. | | 登録日 | 2017-09-05 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Exceptional potency and structural basis of a T1249-derived lipopeptide fusion inhibitor against HIV-1, HIV-2, and simian immunodeficiency virus
J. Biol. Chem., 293, 2018
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5ZCX
 | | Structure of T20/N39 | | 分子名称: | Envelope glycoprotein, Envelope glycoprotein gp160 | | 著者 | Zhang, X.J, Ding, X.H. | | 登録日 | 2018-02-21 | | 公開日 | 2018-10-10 | | 最終更新日 | 2018-12-19 | | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | | 主引用文献 | Structural and functional characterization of HIV-1 cell fusion inhibitor T20.
AIDS, 33, 2019
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