8IFQ
 
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IFR
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3 | | Descriptor: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IFT
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10 | | Descriptor: | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IGY
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-21 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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5DUP
 | | Influenza A virus H5 hemagglutinin globular head in complex with antibody AVFluIgG03 | | Descriptor: | AVFluIgG03 Heavy Chain, AVFluIgG03 Light Chain, Hemagglutinin | | Authors: | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | | Deposit date: | 2015-09-20 | | Release date: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (3.052 Å) | | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
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5DUT
 | | Influenza A virus H5 hemagglutinin globular head | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | | Deposit date: | 2015-09-20 | | Release date: | 2015-12-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
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5DUR
 | | Influenza A virus H5 hemagglutinin globular head in complex with antibody 100F4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Antibody 100F4, Hemagglutinin, ... | | Authors: | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | | Deposit date: | 2015-09-20 | | Release date: | 2015-12-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
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5DUM
 | | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 65C6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 65C6 Heavy Chain, 65C6 Light Chain, ... | | Authors: | Sun, J, Zuo, T, Wang, G, Zhou, P, Zhang, L, Wang, X. | | Deposit date: | 2015-09-19 | | Release date: | 2015-12-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
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1OQE
 | | Crystal structure of sTALL-1 with BAFF-R | | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C | | Authors: | Zhang, G. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
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1OQD
 | | Crystal structure of sTALL-1 and BCMA | | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17 | | Authors: | Zhang, G. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
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4ZS6
 | | Receptor binding domain and Fab complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein, fab Heavy Chain, ... | | Authors: | Yu, X, Wang, X. | | Deposit date: | 2015-05-13 | | Release date: | 2015-09-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.166 Å) | | Cite: | Structural basis for the neutralization of MERS-CoV by a human monoclonal antibody MERS-27
Sci Rep, 5, 2015
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4XXB
 | | Crystal structure of human MDM2-RPL11 | | Descriptor: | 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ... | | Authors: | Zheng, J, Chen, Z. | | Deposit date: | 2015-01-30 | | Release date: | 2015-08-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation
Genes Dev., 29, 2015
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7UAK
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8WRZ
 | | Cry-EM structure of cannabinoid receptor-arrestin 2 complex | | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ... | | Authors: | Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2023-10-16 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
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5JKG
 | | The crystal structure of FGFR4 kinase domain in complex with LY2874455 | | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | | Authors: | Wu, D, Chen, L, Chen, Y. | | Deposit date: | 2016-04-26 | | Release date: | 2016-10-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.352 Å) | | Cite: | Crystal Structure of the FGFR4/LY2874455 Complex Reveals Insights into the Pan-FGFR Selectivity of LY2874455
Plos One, 11, 2016
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6LBM
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6LBI
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6LHD
 | | Crystal structure of p53/BCL-xL fusion complex | | Descriptor: | ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53 | | Authors: | Wei, H, Chen, Y. | | Deposit date: | 2019-12-07 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021
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7BT5
 | | Crystal structure of plasmodium LysRS complexing with an antitumor compound | | Descriptor: | LYSINE, Lysine--tRNA ligase, N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | | Authors: | Zhou, J, Wang, J, Fang, P. | | Deposit date: | 2020-03-31 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Inhibition of Plasmodium falciparum Lysyl-tRNA synthetase via an anaplastic lymphoma kinase inhibitor.
Nucleic Acids Res., 48, 2020
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5H7V
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6C3F
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6C88
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6L8L
 | | C-Src in complex with ibrutinib | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Guo, M, Dai, S, Chen, L, Chen, Y. | | Deposit date: | 2019-11-06 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.888 Å) | | Cite: | Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases.
Bioorg.Med.Chem.Lett., 34, 2020
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6PWS
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6PWT
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