6QIQ
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![BU of 6qiq by Molmil](/molmil-images/mine/6qiq) | Crystal structure of seleno-derivative CAG repeats with synthetic CMBL3a compound | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*G)-D(P*(CSL))-R(P*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Micura, R, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.519 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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6QIT
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![BU of 6qit by Molmil](/molmil-images/mine/6qit) | Crystal structure of CAG repeats with synthetic CMBL3b compound | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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7MC6
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![BU of 7mc6 by Molmil](/molmil-images/mine/7mc6) | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | Deposit date: | 2021-04-01 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc.Natl.Acad.Sci.USA, 119, 2022
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8F0Q
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![BU of 8f0q by Molmil](/molmil-images/mine/8f0q) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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7MC5
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![BU of 7mc5 by Molmil](/molmil-images/mine/7mc5) | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ... | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | Deposit date: | 2021-04-01 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc.Natl.Acad.Sci.USA, 119, 2022
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6QLC
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![BU of 6qlc by Molmil](/molmil-images/mine/6qlc) | The ssDNA-binding RNA polymerase cofactor Drc from Pseudomonas phage LUZ7 | Descriptor: | PHOSPHATE ION, ssDNA binding RNA Polymerase cofactor | Authors: | De Zitter, E, Boon, M, De Smet, J, Lavigne, R, Van Meervelt, L. | Deposit date: | 2019-01-31 | Release date: | 2019-10-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 'Drc', a structurally novel ssDNA-binding transcription regulator of N4-related bacterial viruses. Nucleic Acids Res., 48, 2020
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8EIZ
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![BU of 8eiz by Molmil](/molmil-images/mine/8eiz) | Cryo-EM structure of squid sensory receptor CRB1 | Descriptor: | N-benzyl-2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethan-1-aminium, Squid sensory receptor CRB1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Kang, G, Kim, J.J, Allard, C.A.H, Valencia-Montoya, W.A, van Giesen, L, Kilian, P.B, Bai, X, Bellono, N.W, Hibbs, R.E. | Deposit date: | 2022-09-15 | Release date: | 2023-04-12 | Last modified: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Sensory specializations drive octopus and squid behaviour. Nature, 616, 2023
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6QLF
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![BU of 6qlf by Molmil](/molmil-images/mine/6qlf) | Structure of inner kinetochore CCAN complex with mask1 | Descriptor: | Inner kinetochore subunit AME1, Inner kinetochore subunit CHL4, Inner kinetochore subunit CTF19, ... | Authors: | Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D. | Deposit date: | 2019-01-31 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome. Nature, 574, 2019
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8F0S
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![BU of 8f0s by Molmil](/molmil-images/mine/8f0s) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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8F0P
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![BU of 8f0p by Molmil](/molmil-images/mine/8f0p) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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8F0R
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![BU of 8f0r by Molmil](/molmil-images/mine/8f0r) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the arylsulfonamide inhibitor GNE-3565 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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6Q56
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![BU of 6q56 by Molmil](/molmil-images/mine/6q56) | Crystal structure of the B. subtilis M1A22 tRNA methyltransferase TrmK | Descriptor: | NICKEL (II) ION, tRNA (adenine(22)-N(1))-methyltransferase | Authors: | Degut, C, Roovers, M, Barraud, P, Brachet, F, Feller, A, Larue, V, Al Refaii, A, Caillet, J, Droogmans, L, Tisne, C. | Deposit date: | 2018-12-07 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of B. subtilis m1A22 tRNA methyltransferase TrmK: insights into tRNA recognition. Nucleic Acids Res., 47, 2019
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6Q50
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![BU of 6q50 by Molmil](/molmil-images/mine/6q50) | Structure of MPT-4, a mannose phosphorylase from Leishmania mexicana, in complex with phosphate ion | Descriptor: | 1,2-ETHANEDIOL, MPT-4, PHOSPHATE ION, ... | Authors: | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | Deposit date: | 2018-12-06 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites. Cell Host Microbe, 26, 2019
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8ERP
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![BU of 8erp by Molmil](/molmil-images/mine/8erp) | Structure of Xenopus cholinephosphotransferase1 in complex with CDP-choline | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Cholinephosphotransferase 1, MAGNESIUM ION, ... | Authors: | Wang, L, Zhou, M. | Deposit date: | 2022-10-12 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of a eukaryotic cholinephosphotransferase-1 reveals mechanisms of substrate recognition and catalysis. Nat Commun, 14, 2023
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8ERO
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![BU of 8ero by Molmil](/molmil-images/mine/8ero) | Structure of Xenopus cholinephosphotransferase1 in complex with CDP | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CYTIDINE-5'-DIPHOSPHATE, Cholinephosphotransferase 1, ... | Authors: | Wang, L, Zhou, M. | Deposit date: | 2022-10-12 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of a eukaryotic cholinephosphotransferase-1 reveals mechanisms of substrate recognition and catalysis. Nat Commun, 14, 2023
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8F6P
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![BU of 8f6p by Molmil](/molmil-images/mine/8f6p) | Rat Cardiac Sodium Channel with Ranolazine Bound | Descriptor: | (R)-ranolazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lenaeus, M.J, Tonggu, L. | Deposit date: | 2022-11-16 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural Basis for Inhibition of the Cardiac Sodium Channel by the Atypical Antiarrhythmic Drug Ranolazine To Be Published
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6QDW
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![BU of 6qdw by Molmil](/molmil-images/mine/6qdw) | Cryo-EM structure of the 50S ribosomal subunit at 2.83 Angstroms with modeled GBC SecM peptide | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Schulte, L, Reitz, J, Hodirnau, V.V, Kudlinzki, D, Mao, J, Glaubitz, C, Frangakis, A, Schwalbe, H. | Deposit date: | 2019-01-03 | Release date: | 2020-01-15 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Cysteine oxidation and disulfide formation in the ribosomal exit tunnel. Nat Commun, 11, 2020
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427D
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![BU of 427d by Molmil](/molmil-images/mine/427d) | |
6Q5Z
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![BU of 6q5z by Molmil](/molmil-images/mine/6q5z) | H-Vc7.2, H-superfamily conotoxin | Descriptor: | Conotoxin Vc7.2 | Authors: | Nielsen, L.D, Foged, M.M, Teilum, K, Ellgaard, L. | Deposit date: | 2018-12-10 | Release date: | 2019-04-17 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The three-dimensional structure of an H-superfamily conotoxin reveals a granulin fold arising from a common ICK cysteine framework. J.Biol.Chem., 294, 2019
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6QE4
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![BU of 6qe4 by Molmil](/molmil-images/mine/6qe4) | Re-refinement of 5OLI human IBA57-I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Putative transferase CAF17, mitochondrial | Authors: | Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L, Nasta, V. | Deposit date: | 2019-01-04 | Release date: | 2019-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity. Acta Crystallogr D Struct Biol, 75, 2019
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4A52
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![BU of 4a52 by Molmil](/molmil-images/mine/4a52) | NMR structure of the imipenem-acylated L,D-transpeptidase from Bacillus subtilis | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, PUTATIVE L, D-TRANSPEPTIDASE YKUD | Authors: | Lecoq, L, Simorre, J, Bougault, C, Arthur, M, Hugonnet, J, Veckerle, C, Pessey, O. | Deposit date: | 2011-10-24 | Release date: | 2012-05-30 | Last modified: | 2018-01-24 | Method: | SOLUTION NMR | Cite: | Dynamics Induced by Beta-Lactam Antibiotics in the Active Site of Bacillus subtilis L,D-Transpeptidase. Structure, 20, 2012
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6QJA
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![BU of 6qja by Molmil](/molmil-images/mine/6qja) | Organizational principles of the NuMA-Dynein interaction interface and implications for mitotic spindle functions | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Nuclear mitotic apparatus protein 1 | Authors: | Renna, C, Rizzelli, F, Carminati, M, Gaddoni, C, Pirovano, L, Cecatiello, V, Pasqualato, S, Mapelli, M. | Deposit date: | 2019-01-23 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Organizational Principles of the NuMA-Dynein Interaction Interface and Implications for Mitotic Spindle Functions. Structure, 28, 2020
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6QKY
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![BU of 6qky by Molmil](/molmil-images/mine/6qky) | Tryptophan synthase subunit alpha from Streptococcus pneumoniae with 3D domain swap in the core of TIM barrel | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Michalska, K, Kowiel, M, Bigelow, L, Endres, M, Gilski, M, Jaskolski, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-01-30 | Release date: | 2019-03-27 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | 3D domain swapping in the TIM barrel of the alpha subunit of Streptococcus pneumoniae tryptophan synthase. Acta Crystallogr D Struct Biol, 76, 2020
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6QE3
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![BU of 6qe3 by Molmil](/molmil-images/mine/6qe3) | Re-refinement of 6ESR human IBA57 at 1.75 A resolution | Descriptor: | Putative transferase CAF17, mitochondrial | Authors: | Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L. | Deposit date: | 2019-01-04 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity. Acta Crystallogr D Struct Biol, 75, 2019
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6QIR
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![BU of 6qir by Molmil](/molmil-images/mine/6qir) | Crystal structure of CAG repeats with synthetic CMBL3a compound (model I) | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.531 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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