7AEL
 
 | | alpha 1-antitrypsin (C232S) complexed with GSK716 | | Descriptor: | Alpha-1-antitrypsin, SULFATE ION, ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Development of a small molecule that corrects misfolding and increases secretion of Z alpha 1 -antitrypsin.
Embo Mol Med, 13, 2021
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3CQ0
 | | Crystal Structure of TAL2_YEAST | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Putative transaldolase YGR043C, ... | | Authors: | Huang, H, Niu, L, Teng, M. | | Deposit date: | 2008-04-01 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure and identification of NQM1/YGR043C, a transaldolase from Saccharomyces cerevisiae
Proteins, 73, 2008
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3E17
 | | Crystal structure of the second PDZ domain from human Zona Occludens-2 | | Descriptor: | Tight junction protein ZO-2 | | Authors: | Chen, H, Tong, S.L, Teng, M.K, Niu, L.W. | | Deposit date: | 2008-08-01 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of the second PDZ domain from human zonula occludens 2
Acta Crystallogr.,Sect.F, 65, 2009
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6WJL
 | | Crystal structure of Glypican-2 core protein in complex with D3 Fab | | Descriptor: | D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ... | | Authors: | Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P. | | Deposit date: | 2020-04-14 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope.
Cell Rep Med, 2, 2021
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4DJV
 | | Structure of BACE Bound to 2-imino-5-(3'-methoxy-[1,1'-biphenyl]-3-yl)-3-methyl-5-phenylimidazolidin-4-one | | Descriptor: | (2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2012-02-02 | | Release date: | 2012-03-21 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
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6Z72
 | | SARS-CoV-2 Macrodomain in complex with ADP-HPM | | Descriptor: | 1,2-ETHANEDIOL, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, D-MALATE, ... | | Authors: | Zorzini, V, Rack, J, Ahel, I. | | Deposit date: | 2020-05-29 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
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4DJY
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6Z5T
 | | SARS-CoV-2 Macrodomain in complex with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab, SODIUM ION | | Authors: | Zorzini, V, Rack, J, Ahel, I. | | Deposit date: | 2020-05-27 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
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6Z6I
 | | SARS-CoV-2 Macrodomain in complex with ADP-HPD | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ... | | Authors: | Zorzini, V, Rack, J, Ahel, I. | | Deposit date: | 2020-05-28 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
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4DJW
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4DJX
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4DJU
 | | Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one | | Descriptor: | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2012-02-02 | | Release date: | 2012-03-21 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
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8TL6
 | | Cryo-EM structure of DDB1deltaB-DDA1-DCAF5 | | Descriptor: | DDB1- and CUL4-associated factor 5, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1 | | Authors: | Yue, H, Hunkeler, M, Roy Burman, S.S, Fischer, E.S. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | Targeting DCAF5 suppresses SMARCB1-mutant cancer by stabilizing SWI/SNF.
Nature, 628, 2024
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4PAR
 | | The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Product-like DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA 14-MER, DNA 18-MER, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2014-04-09 | | Release date: | 2014-06-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
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6IIJ
 | | Cryo-EM structure of CV-A10 mature virion | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Chen, J.H, Ye, X.H, Cong, Y, Huang, Z. | | Deposit date: | 2018-10-06 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses.
Cell Discov, 5, 2019
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6IIO
 | | Cryo-EM structure of CV-A10 native empty particle | | Descriptor: | VP0, VP1, VP3 | | Authors: | Chen, J.H, Ye, X.H, Cong, Y, Huang, Z. | | Deposit date: | 2018-10-07 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses.
Cell Discov, 5, 2019
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6E7R
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7NPL
 | | ALPHA-1 ANTITRYPSIN (C232S) COMPLEXED WITH cmpd 11 | | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2021-02-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
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7NPK
 | | ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3 | | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2021-02-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
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7NHX
 | | 1918 H1N1 Viral influenza polymerase heterotrimer - full transcriptase (Class1) | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-11 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NFR
 | | Fujian capmidlink domain in complex with Nb8194 | | Descriptor: | GLYCEROL, NB8194, Polymerase basic protein 2, ... | | Authors: | Keown, J.R, Grimes, J.M, Fodor, E. | | Deposit date: | 2021-02-07 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NIS
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8192 core | | Descriptor: | Nanobody8192 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-13 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (5.96 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NK6
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8204 | | Descriptor: | Nb8204, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-17 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (6.72 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NK1
 | | 1918 Influenza virus polymerase heterotirmer in complex with vRNA promoters and Nb8201 | | Descriptor: | Nanobody8201, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-17 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.22 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NJ7
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8200 core | | Descriptor: | Nb8200 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-16 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.82 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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