7D12
 
 | | NMR solution structures of CAG RNA-DB213 binding complex | | Descriptor: | N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*CP*UP*UP*CP*GP*GP*CP*AP*GP*CP*AP*GP*C)-3'), SODIUM ION | | Authors: | Chan, H.Y.E, Guo, P. | | Deposit date: | 2020-09-12 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | CAG RNAs induce DNA damage and apoptosis by silencing NUDT16 expression in polyglutamine degeneration.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4TY9
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | 5-(trifluoromethyl)pyridin-2-amine, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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4TYA
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | 4-(trifluoromethyl)benzoic acid, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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7MFH
 | | Crystal structure of BIO-32546 bound mouse Autotaxin | | Descriptor: | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chodaparambil, J.V. | | Deposit date: | 2021-04-09 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Acs Med.Chem.Lett., 12, 2021
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4FI9
 | | Structure of human SUN-KASH complex | | Descriptor: | Nesprin-2, SUN domain-containing protein 2 | | Authors: | Wang, W.J, Shi, Z.B. | | Deposit date: | 2012-06-08 | | Release date: | 2012-07-18 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural insights into SUN-KASH complexes across the nuclear envelope.
Cell Res., 22, 2012
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8YRH
 | | Complex of SARS-CoV-2 main protease and Rosmarinic acid | | Descriptor: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, 3C-like proteinase nsp5 | | Authors: | Wang, Q.S, Li, Q.H. | | Deposit date: | 2024-03-21 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Structural basis of rosmarinic acid inhibitory mechanism on SARS-CoV-2 main protease.
Biochem.Biophys.Res.Commun., 724, 2024
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3R22
 | | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | | Descriptor: | N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | | Deposit date: | 2011-03-11 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
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3R21
 | | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | | Descriptor: | MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | | Deposit date: | 2011-03-11 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
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7T78
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8HEV
 | | C12 portal in HCMV B-capsid | | Descriptor: | Portal protein, Unknown peptide | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2022-11-08 | | Release date: | 2023-04-26 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
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8HEU
 | | C12 portal in HCMV A-capsid | | Descriptor: | Portal protein | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2022-11-08 | | Release date: | 2023-04-26 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
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7ESX
 | | Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wPip | | Descriptor: | Bacteria factor 1 | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7ESY
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip | | Descriptor: | Bacteria factor 1, CALCIUM ION, ULP_PROTEASE domain-containing protein | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7ESZ
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB with Mn2+ from wPip | | Descriptor: | BACTERIA FACTOR A, BACTERIA FACTOR B, MANGANESE (II) ION | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.476 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7ET0
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip | | Descriptor: | Bacteria factor A, Bacteria factor B | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8HDL
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8HEY
 | | One CVSC-binding penton vertex in HCMV B-capsid | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ... | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2022-11-09 | | Release date: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
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8HEX
 | | C5 portal vertex in HCMV B-capsid | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ... | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2022-11-08 | | Release date: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
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3S5L
 | | Crystal structure of CD4 mutant bound to HLA-DR1 | | Descriptor: | GLYCEROL, HA peptide, HLA class II histocompatibility antigen DR beta chain, ... | | Authors: | Li, Y. | | Deposit date: | 2011-05-23 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex.
Proc.Natl.Acad.Sci.USA, 108, 2011
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7QI8
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR | | Descriptor: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1 | | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | Deposit date: | 2021-12-14 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
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7QHN
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor | | Descriptor: | 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1 | | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | Deposit date: | 2021-12-13 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
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7QH8
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE | | Descriptor: | GLYCEROL, LYSINE, Lysine--tRNA ligase 1 | | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | Deposit date: | 2021-12-10 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
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7RK8
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7RK9
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3S4S
 | | Crystal structure of CD4 mutant bound to HLA-DR1 | | Descriptor: | GLYCEROL, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Li, Y. | | Deposit date: | 2011-05-20 | | Release date: | 2011-09-21 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex.
Proc.Natl.Acad.Sci.USA, 108, 2011
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