NMR-Based Rational Drug Design of G:G Mismatch DNA Binding Ligand Trapping Transient Complex via Disruption of a Key Allosteric Interaction
Small molecules that bind to mismatched DNA have been applied in various fields, including nanotechnology, bioimaging, and therapeutics. However, the intrinsic dynamic nature of mismatched DNA complicates the prediction of structural changes upon ligand binding, hindering rational ligand design. In...
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| Veröffentlicht in: | Journal of the American Chemical Society Jg. 147; H. 17; S. 14254 - 14269 |
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17.04.2025
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| Abstract | Small molecules that bind to mismatched DNA have been applied in various fields, including nanotechnology, bioimaging, and therapeutics. However, the intrinsic dynamic nature of mismatched DNA complicates the prediction of structural changes upon ligand binding, hindering rational ligand design. In this study, NMR was used for structure-based drug design, with a focus on the G:G mismatch binder ND and the structural dynamics of the DNA-ND complex. Through comprehensive NMR analysis with isotope labeling, two complex structures, the transient and stable complexes, were successfully determined. The nucleobase flip-outs and the distortion of the phosphate backbone of the complex structures were characterized by residual dipolar coupling (RDC) and 31P NMR, respectively. The RDC-refined stable complex structure suggested that the ligand linker-nucleobase interaction allosterically regulates a structural transition. This interaction was experimentally validated by 1H-15N HSQC spectra using a 15N-labeled ligand. Disruption of this key allosteric interaction facilitated the design of a new ligand, sND, that traps the transient complex structure. In conclusion, comprehensive NMR analysis using a weak binder aids in designing nucleic acid-binding ligands based on transient complex structures. |
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| AbstractList | Small molecules that bind to mismatched DNA have been applied in various fields, including nanotechnology, bioimaging, and therapeutics. However, the intrinsic dynamic nature of mismatched DNA complicates the prediction of structural changes upon ligand binding, hindering rational ligand design. In this study, NMR was used for structure-based drug design, with a focus on the G:G mismatch binder ND and the structural dynamics of the DNA-ND complex. Through comprehensive NMR analysis with isotope labeling, two complex structures, the transient and stable complexes, were successfully determined. The nucleobase flip-outs and the distortion of the phosphate backbone of the complex structures were characterized by residual dipolar coupling (RDC) and 31P NMR, respectively. The RDC-refined stable complex structure suggested that the ligand linker-nucleobase interaction allosterically regulates a structural transition. This interaction was experimentally validated by 1H-15N HSQC spectra using a 15N-labeled ligand. Disruption of this key allosteric interaction facilitated the design of a new ligand, sND, that traps the transient complex structure. In conclusion, comprehensive NMR analysis using a weak binder aids in designing nucleic acid-binding ligands based on transient complex structures. Small molecules that bind to mismatched DNA have been applied in various fields, including nanotechnology, bioimaging, and therapeutics. However, the intrinsic dynamic nature of mismatched DNA complicates the prediction of structural changes upon ligand binding, hindering rational ligand design. In this study, NMR was used for structure-based drug design, with a focus on the G:G mismatch binder ND and the structural dynamics of the DNA-ND complex. Through comprehensive NMR analysis with isotope labeling, two complex structures, the transient and stable complexes, were successfully determined. The nucleobase flip-outs and the distortion of the phosphate backbone of the complex structures were characterized by residual dipolar coupling (RDC) and 31P NMR, respectively. The RDC-refined stable complex structure suggested that the ligand linker-nucleobase interaction allosterically regulates a structural transition. This interaction was experimentally validated by 1H-15N HSQC spectra using a 15N-labeled ligand. Disruption of this key allosteric interaction facilitated the design of a new ligand, sND, that traps the transient complex structure. In conclusion, comprehensive NMR analysis using a weak binder aids in designing nucleic acid-binding ligands based on transient complex structures.Small molecules that bind to mismatched DNA have been applied in various fields, including nanotechnology, bioimaging, and therapeutics. However, the intrinsic dynamic nature of mismatched DNA complicates the prediction of structural changes upon ligand binding, hindering rational ligand design. In this study, NMR was used for structure-based drug design, with a focus on the G:G mismatch binder ND and the structural dynamics of the DNA-ND complex. Through comprehensive NMR analysis with isotope labeling, two complex structures, the transient and stable complexes, were successfully determined. The nucleobase flip-outs and the distortion of the phosphate backbone of the complex structures were characterized by residual dipolar coupling (RDC) and 31P NMR, respectively. The RDC-refined stable complex structure suggested that the ligand linker-nucleobase interaction allosterically regulates a structural transition. This interaction was experimentally validated by 1H-15N HSQC spectra using a 15N-labeled ligand. Disruption of this key allosteric interaction facilitated the design of a new ligand, sND, that traps the transient complex structure. In conclusion, comprehensive NMR analysis using a weak binder aids in designing nucleic acid-binding ligands based on transient complex structures. Small molecules that bind to mismatched DNA have been applied in various fields, including nanotechnology, bioimaging, and therapeutics. However, the intrinsic dynamic nature of mismatched DNA complicates the prediction of structural changes upon ligand binding, hindering rational ligand design. In this study, NMR was used for structure-based drug design, with a focus on the G:G mismatch binder and the structural dynamics of the DNA- complex. Through comprehensive NMR analysis with isotope labeling, two complex structures, the transient and stable complexes, were successfully determined. The nucleobase flip-outs and the distortion of the phosphate backbone of the complex structures were characterized by residual dipolar coupling (RDC) and P NMR, respectively. The RDC-refined stable complex structure suggested that the ligand linker-nucleobase interaction allosterically regulates a structural transition. This interaction was experimentally validated by H- N HSQC spectra using a N-labeled ligand. Disruption of this key allosteric interaction facilitated the design of a new ligand, , that traps the transient complex structure. In conclusion, comprehensive NMR analysis using a weak binder aids in designing nucleic acid-binding ligands based on transient complex structures. |
| Author | Yamada, Takeshi Fujiwara, Toshimichi Nakane, Takanori Miyanoiri, Yohei Nomura, Makoto Sakurabayashi, Shuhei Sugiura, Noriaki Kawamoto, Akihiro Furuita, Kyoko Kurisu, Genji Nakatani, Kazuhiko Kojima, Chojiro |
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| Cites_doi | 10.1021/acs.cgd.3c00432 10.1016/j.bmcl.2024.129985 10.1021/jacs.0c10337 10.1021/cr0404794 10.1107/S2059798317017235 10.1101/gad.1182704 10.1093/bioinformatics/btu830 10.1107/S2059798318007726 10.1038/nature09775 10.1039/d2ce01522f 10.1038/cr.2008.5 10.1107/S2059798322004399 10.1038/s41467-018-03516-1 10.1002/anie.200351947 10.1038/ncomms5786 10.1021/jacs.9b10535 10.1039/c3cs60455a 10.1038/nature06389 10.1038/nrm2854 10.1021/ja065766z 10.1093/nar/gkac740 10.1021/ja0109186 10.1038/nature14227 10.1107/S2059798318002978 10.1093/nar/gkz394 10.1246/bcsj.20200065 10.1002/jcc.20084 10.1021/jacs.0c03591 10.1246/bcsj.82.1055 10.1021/ja037947w 10.1021/bi900194e 10.3389/fgene.2022.959258 10.1021/ja0166747 10.1016/j.bmcl.2004.11.003 10.1093/nar/gks067 10.1107/S2059798320003198 10.1038/nrm1907 10.1038/s41588-019-0575-8 10.1002/anie.200502282 10.1002/0471142700.nc0806s32 10.1038/nchembio708 10.1093/nar/gkh171 10.1039/c8cc02393j 10.1021/ja0540369 10.1021/bi060304j 10.1021/ja011977m 10.1074/jbc.R600022200 10.1038/NCHEM.1375 10.1038/nature05977 10.1038/nrg1689 10.1016/j.mad.2008.02.012 10.1126/science.1191723 10.1146/annurev.neuro.29.051605.113042 10.1021/acs.joc.1c02383 10.1107/S2053229614024218 10.1039/d4cc00544a 10.1038/cr.2007.115 |
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| Keywords | REPAIR INSTABILITY RECOGNITION GUANINE-GUANINE MISMATCHES STABILITY TRIPLET REPEATS MECHANISMS TRINUCLEOTIDE REPEATS WATER SUPPRESSION PAIRS |
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| References | Pettersen, EF (WOS:000223379100005) 2004; 25 Granzhan, A (WOS:000335014000016) 2014; 43 Yang, XL (WOS:000083535800009) 1999; 27 Hamada, H (WOS:000540717800008) 2020; 93 Modrich, P (WOS:000241075900002) 2006; 281 Song, H (WOS:000306696300010) 2012; 4 Zeglis, BM (WOS:000266158100005) 2009; 48 Gildea, RJ (WOS:000806156200008) 2022; 78 Nakatani, K (WOS:000166261400019) 2001; 19 Kovtun, IV (WOS:000252920000018) 2008; 18 Wuthrich, K. (001469188000001.44) 1986 BLOMMERS, MJJ (WOS:A1994PE35200001) 1994; 4 Gildea, RJ (WOS:000431248900003) 2018; 74 Nakatani, Kazuhiko (MEDLINE:18428804) 2008; Chapter 8 Li, SX (WOS:000475901600005) 2019; 47 Luy, B (WOS:000172239900027) 2001; 123 Beilsten-Edmands, J (WOS:000524555300010) 2020; 76 Cheung, T (WOS:000651668400018) 2019 Hsieh, P (WOS:000257816100005) 2008; 129 Thrippleton, MJ (WOS:000185098200017) 2003; 42 Zhang, Q (WOS:000251786200057) 2007; 450 Jackson, BA (WOS:000071393800040) 1997; 119 Kobori, A (WOS:000188197800048) 2004; 126 WILSON, WD (WOS:A1986E214900012) 1986; 25 BORGIAS, BA (WOS:A1990DD96400004) 1990; 87 Plum, GE (WOS:A1995TK39200030) 1995; 34 GORENSTEIN, DG (WOS:A1994PB64500008) 1994; 94 Gorenstein, D. G. (001469188000001.53) 1987; 8 Dingley, AJ (WOS:000232605600071) 2005; 127 Nakatani, K (WOS:000271497600001) 2009; 82 GACY, AM (WOS:A1995QZ71000010) 1995; 81 Orlovsky, NI (WOS:000508475100033) 2020; 142 Pearson, CE (WOS:000072299900069) 1998; 37 Peng, T (WOS:000233404500027) 2005; 44 Mastronarde, D. N. (001469188000001.84) 2003; 9 Brunger, AT (WOS:000075952200023) 1998; 54 HWANG, TL (WOS:A1995QG80600024) 1995; 112 Orr, HT (WOS:000248735400022) 2007; 30 Iyer, RR (WOS:000235347300006) 2006; 106 Schwieters, CD (WOS:000181638500010) 2003; 160 Castel, AL (WOS:000274784300011) 2010; 11 Sakurabayashi, S (WOS:001339075400001) 2024; 114 MITAS, M (WOS:A1995QU68200024) 1995; 23 GAO, XL (WOS:A1988M523300054) 1988; 27 Peng, T (WOS:000226344800003) 2005; 15 Hagihara, S (WOS:000188988700044) 2004; 32 LIU, H (WOS:A1993KN53400061) 1993; 115 Mirkin, SM (WOS:000247373100035) 2007; 447 Yamada, T (WOS:000852784300001) 2022; 50 Pearson, CE (WOS:A1996UF52100045) 1996; 35 Sheldrick, GM (WOS:000347804100002) 2015; 71 Li, GM (WOS:000252920000009) 2008; 18 Xu, Y (WOS:000430056700005) 2018; 9 Lu, H (WOS:000585703000027) 2020; 142 Nakatani, K (WOS:000172745300025) 2001; 123 Shibata, T (WOS:000436091600027) 2018; 54 LINDAHL, T (WOS:A1993KY45000044) 1993; 362 Korzhnev, DM (WOS:000281657300029) 2010; 329 Peterson, CL (WOS:000220794200002) 2004; 18 Jiricny, J (WOS:000237057500013) 2006; 7 Alvey, HS (WOS:000342928500004) 2014; 5 SKLENAR, V (WOS:A1987K421500007) 1987; 74 Chien, CM (WOS:000543780500033) 2020; 142 RAGG, E (WOS:A1988P833100048) 1988; 236 PIOTTO, M (WOS:A1992KD16100013) 1992; 2 Hansen, MR (WOS:000077284900012) 1998; 5 Lee, W (WOS:000354453700031) 2015; 31 Ohshima, K (WOS:A1997XH44600017) 1997; 272 Paulson, HL (WOS:A1996TY51800004) 1996; 19 Das, B (WOS:000736534000001) 2022; 87 GOODMAN, MF (WOS:A1993KV60500001) 1993; 28 Sasaki, T (WOS:000910524200001) 2023; 25 Ravanat, JL (WOS:000172057900012) 2001; 63 Tikhomirova, A (WOS:000240079700016) 2006; 45 Nakatani, K (WOS:000232621100011) 2005; 1 Phan, AT (WOS:000174039700016) 2002; 124 Nikolova, EN (WOS:000287652900034) 2011; 470 Clabbers, MTB (WOS:000434348800003) 2018; 74 Winter, G (WOS:000426842000003) 2018; 74 Nakamori, M (WOS:000513384200001) 2020; 52 Tjandra, N (WOS:A1997YE65200048) 1997; 278 Poon, DKY (WOS:000242367000018) 2006; 128 Kimsey, IJ (WOS:000351171900033) 2015; 519 Jourdan, M (WOS:000305032500043) 2012; 40 Bansal, A (WOS:000860271000001) 2022; 13 Gogoi, D (WOS:001018230300001) 2023; 23 Liu, H (WOS:A1995TN42000006) 1995; 6 Yamada, T (WOS:001177567100001) 2024; 60 Peyret, N (WOS:000079510700003) 1999; 38 Pearson, CE (WOS:000232316800010) 2005; 6 Petruska, J (WOS:A1996UR37900003) 1996; 24 PLATEAU, P (WOS:A1982PU95400067) 1982; 104 DELEPIERRE, M (WOS:A1989CJ20100007) 1989; 7 Pervushin, K (WOS:000077191200030) 1998; 95 |
| References_xml | – volume: 23 start-page: 5821 year: 2023 ident: WOS:001018230300001 article-title: Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction publication-title: CRYSTAL GROWTH & DESIGN doi: 10.1021/acs.cgd.3c00432 – volume: 114 start-page: ARTN 129985 year: 2024 ident: WOS:001339075400001 article-title: The heterodimer of 2-amino-1,8-naphthyridine and 3-aminoisoquinoline binds to the CTG/CTG triad via hydrogen bonding publication-title: BIOORGANIC & MEDICINAL CHEMISTRY LETTERS doi: 10.1016/j.bmcl.2024.129985 – volume: 119 start-page: 12986 year: 1997 ident: WOS:000071393800040 article-title: Recognition of DNA base mismatches by a rhodium intercalator publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY – volume: 142 start-page: 18990 year: 2020 ident: WOS:000585703000027 article-title: B/N-Doped p-Arylenevinylene Chromophores: Synthesis, Properties, and Microcrystal Electron Crystallographic Study publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY doi: 10.1021/jacs.0c10337 – volume: 104 start-page: 7310 year: 1982 ident: WOS:A1982PU95400067 article-title: EXCHANGEABLE PROTON NMR WITHOUT BASE-LINE DISTORTION, USING NEW STRONG-PULSE SEQUENCES publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY – volume: 115 start-page: 1590 year: 1993 ident: WOS:A1993KN53400061 article-title: EXTRACTING ACCURATE DISTANCES AND BOUNDS FROM 2D-NOE EXCHANGEABLE PROTON PEAKS publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY – volume: 106 start-page: 302 year: 2006 ident: WOS:000235347300006 article-title: DNA mismatch repair: Functions and mechanisms publication-title: CHEMICAL REVIEWS doi: 10.1021/cr0404794 – volume: 74 start-page: 85 year: 2018 ident: WOS:000426842000003 article-title: DIALS: implementation and evaluation of a new integration package publication-title: ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY doi: 10.1107/S2059798317017235 – volume: 5 start-page: 1065 year: 1998 ident: WOS:000077284900012 article-title: Tunable alignment of macromolecules by filamentous phage yields dipolar coupling interactions publication-title: NATURE STRUCTURAL BIOLOGY – volume: 18 start-page: 602 year: 2004 ident: WOS:000220794200002 article-title: Cellular machineries for chromosomal DNA repair publication-title: GENES & DEVELOPMENT doi: 10.1101/gad.1182704 – volume: 31 start-page: 1325 year: 2015 ident: WOS:000354453700031 article-title: NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy publication-title: BIOINFORMATICS doi: 10.1093/bioinformatics/btu830 – volume: 74 start-page: 506 year: 2018 ident: WOS:000434348800003 article-title: Electron diffraction data processing with DIALS publication-title: ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY doi: 10.1107/S2059798318007726 – volume: 470 start-page: 498 year: 2011 ident: WOS:000287652900034 article-title: Transient Hoogsteen base pairs in canonical duplex DNA publication-title: NATURE doi: 10.1038/nature09775 – volume: 25 start-page: 352 year: 2023 ident: WOS:000910524200001 article-title: Microcrystal electron diffraction (MicroED) structure determination of a mechanochemically synthesized co-crystal not affordable from solution crystallization publication-title: CRYSTENGCOMM doi: 10.1039/d2ce01522f – volume: 18 start-page: 198 year: 2008 ident: WOS:000252920000018 article-title: Features of trinucleotide repeat instability in vivo publication-title: CELL RESEARCH doi: 10.1038/cr.2008.5 – volume: 78 start-page: 752 year: 2022 ident: WOS:000806156200008 article-title: xia2.multiplex: a multi-crystal data-analysis pipeline publication-title: ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY doi: 10.1107/S2059798322004399 – year: 1986 ident: 001469188000001.44 publication-title: NMR of Proteins and NucleicAcids – volume: 9 start-page: ARTN 1473 year: 2018 ident: WOS:000430056700005 article-title: Modulation of Hoogsteen dynamics on DNA recognition publication-title: NATURE COMMUNICATIONS doi: 10.1038/s41467-018-03516-1 – volume: 37 start-page: 2701 year: 1998 ident: WOS:000072299900069 article-title: Interruptions in the triplet repeats of SCA1 and FRAXA reduce the propensity and complexity of slipped strand DNA (S-DNA) formation publication-title: BIOCHEMISTRY – volume: 42 start-page: 3938 year: 2003 ident: WOS:000185098200017 article-title: Elimination of zero-quantum interference in two-dimensional NMR spectra publication-title: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION doi: 10.1002/anie.200351947 – volume: 112 start-page: 275 year: 1995 ident: WOS:A1995QG80600024 article-title: WATER SUPPRESSION THAT WORKS - EXCITATION SCULPTING USING ARBITRARY WAVE-FORMS AND PULSED-FIELD GRADIENTS publication-title: JOURNAL OF MAGNETIC RESONANCE SERIES A – volume: 87 start-page: 475 year: 1990 ident: WOS:A1990DD96400004 article-title: MARDIGRAS - A PROCEDURE FOR MATRIX ANALYSIS OF RELAXATION FOR DISCERNING GEOMETRY OF AN AQUEOUS STRUCTURE publication-title: JOURNAL OF MAGNETIC RESONANCE – volume: 5 start-page: ARTN 4786 year: 2014 ident: WOS:000342928500004 article-title: Widespread transient Hoogsteen base pairs in canonical duplex DNA with variable energetics publication-title: NATURE COMMUNICATIONS doi: 10.1038/ncomms5786 – volume: 7 start-page: 557 year: 1989 ident: WOS:A1989CJ20100007 article-title: REASSESSMENT OF STRUCTURAL CHARACTERISTICS OF THE D(CGCG)2 - ACTINOMYCIN-D COMPLEX FROM COMPLETE H-1 AND P-31 NMR publication-title: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS – volume: 142 start-page: 907 year: 2020 ident: WOS:000508475100033 article-title: Exposing Hidden High-Affinity RNA Conformational States publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY doi: 10.1021/jacs.9b10535 – volume: 278 start-page: 1111 year: 1997 ident: WOS:A1997YE65200048 article-title: Direct measurement of distances and angles in biomolecules by NMR in a dilute liquid crystalline medium publication-title: SCIENCE – volume: 43 start-page: 3630 year: 2014 ident: WOS:000335014000016 article-title: Finding needles in a basestack: recognition of mismatched base pairs in DNA by small molecules publication-title: CHEMICAL SOCIETY REVIEWS doi: 10.1039/c3cs60455a – volume: 362 start-page: 709 year: 1993 ident: WOS:A1993KY45000044 article-title: INSTABILITY AND DECAY OF THE PRIMARY STRUCTURE OF DNA publication-title: NATURE – volume: 450 start-page: 1263 year: 2007 ident: WOS:000251786200057 article-title: Visualizing spatially correlated dynamics that directs RNA conformational transitions publication-title: NATURE doi: 10.1038/nature06389 – volume: 11 start-page: 165 year: 2010 ident: WOS:000274784300011 article-title: Repeat instability as the basis for human diseases and as a potential target for therapy publication-title: NATURE REVIEWS MOLECULAR CELL BIOLOGY doi: 10.1038/nrm2854 – volume: 6 start-page: 390 year: 1995 ident: WOS:A1995TN42000006 article-title: Interproton distance bounds from 2D NOE intensities: Effect of experimental noise and peak integration errors publication-title: JOURNAL OF BIOMOLECULAR NMR – volume: 128 start-page: 15388 year: 2006 ident: WOS:000242367000018 article-title: Unambiguous determination of the ionization state of a glycoside hydrolase active site lysine by 1H-15N heteronuclear correlation spectroscopy publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY doi: 10.1021/ja065766z – volume: 50 start-page: 9621 year: 2022 ident: WOS:000852784300001 article-title: NMR determination of the 2:1 binding complex of naphthyridine carbamate dimer (NCD) and CGG/CGG triad in double-stranded DNA publication-title: NUCLEIC ACIDS RESEARCH doi: 10.1093/nar/gkac740 – volume: 123 start-page: 12650 year: 2001 ident: WOS:000172745300025 article-title: Recognition of guanine-guanine mismatches by the dimeric form of 2-amino-1,8-naphthyridine publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY doi: 10.1021/ja0109186 – volume: 27 start-page: 4183 year: 1999 ident: WOS:000083535800009 article-title: Imidazole-imidazole pair as a minor groove recognition motif for T:G mismatched base pairs publication-title: NUCLEIC ACIDS RESEARCH – volume: 519 start-page: 315 year: 2015 ident: WOS:000351171900033 article-title: Visualizing transient Watson-Crick-like mispairs in DNA and RNA duplexes publication-title: NATURE doi: 10.1038/nature14227 – volume: 74 start-page: 405 year: 2018 ident: WOS:000431248900003 article-title: Determination of Patterson group symmetry from sparse multi-crystal data sets in the presence of an indexing ambiguity publication-title: ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY doi: 10.1107/S2059798318002978 – volume: 2 start-page: 661 year: 1992 ident: WOS:A1992KD16100013 article-title: GRADIENT-TAILORED EXCITATION FOR SINGLE-QUANTUM NMR-SPECTROSCOPY OF AQUEOUS-SOLUTIONS publication-title: JOURNAL OF BIOMOLECULAR NMR – volume: 47 start-page: W26 year: 2019 ident: WOS:000475901600005 article-title: Web 3DNA 2.0 for the analysis, visualization, and modeling of 3D nucleic acid structures publication-title: NUCLEIC ACIDS RESEARCH doi: 10.1093/nar/gkz394 – volume: 93 start-page: 776 year: 2020 ident: WOS:000540717800008 article-title: Spiro-Conjugated Carbon/Heteroatom-Bridged p-Phenylenevinylenes: Synthesis, Properties, and Microcrystal Electron Crystallographic Analysis of Racemic Solid Solutions publication-title: BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN doi: 10.1246/bcsj.20200065 – volume: 34 start-page: 16148 year: 1995 ident: WOS:A1995TK39200030 article-title: Influence of the oxidatively damaged adduct 8-oxodeoxyguanosine on the conformation, energetics, and thermodynamic stability of a DNA duplex publication-title: BIOCHEMISTRY – volume: 27 start-page: 1744 year: 1988 ident: WOS:A1988M523300054 article-title: NMR-STUDIES OF ECHINOMYCIN BISINTERCALATION COMPLEXES WITH D(AL-C2-G3-T4) AND D(T1-C2-G3-A4) DUPLEXES IN AQUEOUS-SOLUTION - SEQUENCE-DEPENDENT FORMATION OF HOOGSTEEN A1.T4 AND WATSON-CRICK T1.A4 BASE-PAIRS FLANKING THE BISINTERCALATION SITE publication-title: BIOCHEMISTRY – volume: 95 start-page: 14147 year: 1998 ident: WOS:000077191200030 article-title: NMR scaler couplings across Watson-Crick base pair hydrogen bonds in DNA observed by transverse relaxation optimized spectroscopy publication-title: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA – volume: 25 start-page: 1605 year: 2004 ident: WOS:000223379100005 article-title: UCSF chimera - A visualization system for exploratory research and analysis publication-title: JOURNAL OF COMPUTATIONAL CHEMISTRY doi: 10.1002/jcc.20084 – volume: 94 start-page: 1315 year: 1994 ident: WOS:A1994PB64500008 article-title: CONFORMATION AND DYNAMICS OF DNA AND PROTEIN-DNA COMPLEXES BY P-31 NMR publication-title: CHEMICAL REVIEWS – volume: 35 start-page: 5041 year: 1996 ident: WOS:A1996UF52100045 article-title: Alternative structures in duplex DNA formed within the trinucleotide repeats of the myotonic dystrophy and fragile X loci publication-title: BIOCHEMISTRY – volume: 142 start-page: 11165 year: 2020 ident: WOS:000543780500033 article-title: Structural Basis for Targeting T:T Mismatch with Triaminotriazine-Acridine Conjugate Induces a U-Shaped Head-to-Head Four-Way Junction in CTG Repeat DNA publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY doi: 10.1021/jacs.0c03591 – volume: 82 start-page: 1055 year: 2009 ident: WOS:000271497600001 article-title: Recognition of Mismatched Base Pairs in DNA publication-title: BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN doi: 10.1246/bcsj.82.1055 – volume: 126 start-page: 557 year: 2004 ident: WOS:000188197800048 article-title: The SPR sensor detecting cytosine-cytosine mismatches publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY doi: 10.1021/ja037947w – volume: 48 start-page: 4247 year: 2009 ident: WOS:000266158100005 article-title: A Bulky Rhodium Complex Bound to an Adenosine-Adenosine DNA Mismatch: General Architecture of the Metalloinsertion Binding Mode publication-title: BIOCHEMISTRY doi: 10.1021/bi900194e – volume: 13 start-page: ARTN 959258 year: 2022 ident: WOS:000860271000001 article-title: Non-canonical DNA structures: Diversity and disease association publication-title: FRONTIERS IN GENETICS doi: 10.3389/fgene.2022.959258 – volume: 123 start-page: 11306 year: 2001 ident: WOS:000172239900027 article-title: 1H-31P CPMG-correlated experiments for the assignment of nucleic acids publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY doi: 10.1021/ja0166747 – volume: 63 start-page: 88 year: 2001 ident: WOS:000172057900012 article-title: Direct and indirect effects of UV radiation on DNA and its components publication-title: JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY – volume: 15 start-page: 259 year: 2005 ident: WOS:000226344800003 article-title: A new ligand binding to G-G mismatch having improved thermal and alkaline stability publication-title: BIOORGANIC & MEDICINAL CHEMISTRY LETTERS doi: 10.1016/j.bmcl.2004.11.003 – volume: 40 start-page: 5115 year: 2012 ident: WOS:000305032500043 article-title: Double threading through DNA: NMR structural study of a bis-naphthalene macrocycle bound to a thymine-thymine mismatch publication-title: NUCLEIC ACIDS RESEARCH doi: 10.1093/nar/gks067 – volume: 54 start-page: 905 year: 1998 ident: WOS:000075952200023 article-title: Crystallography & NMR system:: A new software suite for macromolecular structure determination publication-title: ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY – volume: 76 start-page: 385 year: 2020 ident: WOS:000524555300010 article-title: Scaling diffraction data in the DIALS software package: algorithms and new approaches for multi-crystal scaling publication-title: ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY doi: 10.1107/S2059798320003198 – volume: 7 start-page: 335 year: 2006 ident: WOS:000237057500013 article-title: The multifaceted mismatch-repair system publication-title: NATURE REVIEWS MOLECULAR CELL BIOLOGY doi: 10.1038/nrm1907 – volume: 81 start-page: 533 year: 1995 ident: WOS:A1995QZ71000010 article-title: TRINUCLEOTIDE REPEATS THAT EXPAND IN HUMAN-DISEASE FORM HAIRPIN STRUCTURES IN-VITRO publication-title: CELL – volume: 8 start-page: 137 year: 1987 ident: 001469188000001.53 article-title: 31P NMRand two-dimensional NMR spectra of nucleic acids and 2D NOESY-constrainedmolecular mechanics calculations for structural solution of duplexoligonucleotides publication-title: Bull. Magn. Reson – volume: 52 start-page: 146 year: 2020 ident: WOS:000513384200001 article-title: A slipped-CAG DNA-binding small molecule induces trinucleotide-repeat contractions in vivo publication-title: NATURE GENETICS doi: 10.1038/s41588-019-0575-8 – volume: 44 start-page: 7280 year: 2005 ident: WOS:000233404500027 article-title: Binding of naphthyridine carbamate dimer to the (CGG)n repeat results in the disruption of the G-C base pairing publication-title: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION doi: 10.1002/anie.200502282 – volume: Chapter 8 start-page: Unit 8.6 year: 2008 ident: MEDLINE:18428804 article-title: Synthesis of dimeric 2-amino-1,8-naphthyridine and related DNA-binding molecules. publication-title: Current protocols in nucleic acid chemistry doi: 10.1002/0471142700.nc0806s32 – volume: 1 start-page: 39 year: 2005 ident: WOS:000232621100011 article-title: Small-molecule ligand induces nucleotide flipping in (CAG)n trinucleotide repeats publication-title: NATURE CHEMICAL BIOLOGY doi: 10.1038/nchembio708 – volume: 236 start-page: 231 year: 1988 ident: WOS:A1988P833100048 article-title: P-31 NMR-STUDY OF DAUNORUBICIN-D(CGTACG) COMPLEX IN SOLUTION - EVIDENCE OF THE INTERCALATION SITES publication-title: FEBS LETTERS – volume: 32 start-page: 278 year: 2004 ident: WOS:000188988700044 article-title: Detection of guanine-adenine mismatches by surface plasmon resonance sensor carrying naphthyridine-azaquinolone hybrid on the surface publication-title: NUCLEIC ACIDS RESEARCH doi: 10.1093/nar/gkh171 – volume: 54 start-page: 7074 year: 2018 ident: WOS:000436091600027 article-title: Bicyclic and tricyclic C-C mismatch-binding ligands bind to CCG trinucleotide repeat DNAs publication-title: CHEMICAL COMMUNICATIONS doi: 10.1039/c8cc02393j – volume: 127 start-page: 14466 year: 2005 ident: WOS:000232605600071 article-title: Characterization of the cation and temperature dependence of DNA quadruplex hydrogen bond properties using high-resolution NMR publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY doi: 10.1021/ja0540369 – volume: 45 start-page: 10563 year: 2006 ident: WOS:000240079700016 article-title: Stability of DNA duplexes containing GG, CC, AA, and TT mismatches publication-title: BIOCHEMISTRY doi: 10.1021/bi060304j – volume: 38 start-page: 3468 year: 1999 ident: WOS:000079510700003 article-title: Nearest-neighbor thermodynamics and NMR of DNA sequences with internal A•A, C•C, G•G, and T•T mismatches publication-title: BIOCHEMISTRY – volume: 124 start-page: 1160 year: 2002 ident: WOS:000174039700016 article-title: A site-specific low-enrichment 15N,13C isotope-labeling approach to unambiguous NMR spectral assignments in nucleic acids publication-title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY doi: 10.1021/ja011977m – volume: 281 start-page: 30305 year: 2006 ident: WOS:000241075900002 article-title: Mechanisms in eukaryotic mismatch repair publication-title: JOURNAL OF BIOLOGICAL CHEMISTRY doi: 10.1074/jbc.R600022200 – start-page: 421 year: 2019 ident: WOS:000651668400018 article-title: Biomolecular NMR Spectroscopy and Structure Determination of DNA publication-title: BIOMOLECULAR AND BIOANALYTICAL TECHNIQUES: THEORY, METHODOLOGY AND APPLICATIONS – volume: 25 start-page: 1997 year: 1986 ident: WOS:A1986E214900012 article-title: SPECIFICITY IN DNA INTERACTIONS - AN NMR INVESTIGATION OF THE INTERACTION OF PROPIDIUM WITH OLIGODEOXYRIBONUCLEOTIDES CONTAINING NORMAL AND G . T BASE-PAIRS publication-title: BIOPOLYMERS – volume: 74 start-page: 469 year: 1987 ident: WOS:A1987K421500007 article-title: SPIN-ECHO WATER SUPPRESSION FOR THE GENERATION OF PURE-PHASE TWO-DIMENSIONAL NMR-SPECTRA publication-title: JOURNAL OF MAGNETIC RESONANCE – volume: 24 start-page: 1992 year: 1996 ident: WOS:A1996UR37900003 article-title: Stability of intrastrand hairpin structures formed by the CAG/CTG class of DNA triplet repeats associated with neurological diseases publication-title: NUCLEIC ACIDS RESEARCH – volume: 160 start-page: 65 year: 2003 ident: WOS:000181638500010 article-title: The Xplor-NIH NMR molecular structure determination package publication-title: JOURNAL OF MAGNETIC RESONANCE – volume: 4 start-page: 615 year: 2012 ident: WOS:000306696300010 article-title: Crystal structure of Δ-[Ru(bpy)2dppz]2+ bound to mismatched DNA reveals side-by-side metalloinsertion and intercalation publication-title: NATURE CHEMISTRY doi: 10.1038/NCHEM.1375 – volume: 28 start-page: 83 year: 1993 ident: WOS:A1993KV60500001 article-title: BIOCHEMICAL BASIS OF DNA-REPLICATION FIDELITY publication-title: CRITICAL REVIEWS IN BIOCHEMISTRY AND MOLECULAR BIOLOGY – volume: 23 start-page: 1050 year: 1995 ident: WOS:A1995QU68200024 article-title: HAIRPIN PROPERTIES OF SINGLE-STRANDED-DNA CONTAINING A GC-RICH TRIPLET REPEAT - (CTG)(15) publication-title: NUCLEIC ACIDS RESEARCH – volume: 447 start-page: 932 year: 2007 ident: WOS:000247373100035 article-title: Expandable DNA repeats and human disease publication-title: NATURE doi: 10.1038/nature05977 – volume: 6 start-page: 729 year: 2005 ident: WOS:000232316800010 article-title: Repeat instability: Mechanisms of dynamic mutations publication-title: NATURE REVIEWS GENETICS doi: 10.1038/nrg1689 – volume: 129 start-page: 391 year: 2008 ident: WOS:000257816100005 article-title: DNA mismatch repair: Molecular mechanism, cancer, and ageing publication-title: MECHANISMS OF AGEING AND DEVELOPMENT doi: 10.1016/j.mad.2008.02.012 – volume: 329 start-page: 1312 year: 2010 ident: WOS:000281657300029 article-title: A Transient and Low-Populated Protein-Folding Intermediate at Atomic Resolution publication-title: SCIENCE doi: 10.1126/science.1191723 – volume: 30 start-page: 575 year: 2007 ident: WOS:000248735400022 article-title: Trinucleotide repeat disorders publication-title: ANNUAL REVIEW OF NEUROSCIENCE doi: 10.1146/annurev.neuro.29.051605.113042 – volume: 19 start-page: 51 year: 2001 ident: WOS:000166261400019 article-title: Scanning of guanine-guanine mismatches in DNA by synthetic ligands using surface plasmon resonance publication-title: NATURE BIOTECHNOLOGY – volume: 87 start-page: 340 year: 2022 ident: WOS:000736534000001 article-title: 2-Amino-1,8-naphthyridine Dimer (ANP77), a High-Affinity Binder to the Internal Loops of C/CC and T/CC Sites in Double-Stranded DNA publication-title: JOURNAL OF ORGANIC CHEMISTRY doi: 10.1021/acs.joc.1c02383 – volume: 9 start-page: 1182 year: 2003 ident: 001469188000001.84 article-title: SerialEM:A Program for Automated Tilt Series Acquisition on Tecnai MicroscopesUsing Prediction of Specimen Position publication-title: Microsc.Microanal – volume: 71 start-page: 3 year: 2015 ident: WOS:000347804100002 article-title: Crystal structure refinement with SHELXL publication-title: ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY doi: 10.1107/S2053229614024218 – volume: 19 start-page: 79 year: 1996 ident: WOS:A1996TY51800004 article-title: Trinucleotide repeats in neurogenetic disorders publication-title: ANNUAL REVIEW OF NEUROSCIENCE – volume: 60 year: 2024 ident: WOS:001177567100001 article-title: NMR analysis of 15N-labeled naphthyridine carbamate dimer (NCD) to contiguous CGG/CGG units in DNA publication-title: CHEMICAL COMMUNICATIONS doi: 10.1039/d4cc00544a – volume: 4 start-page: 595 year: 1994 ident: WOS:A1994PE35200001 article-title: DETERMINATION OF THE BACKBONE TORSION ANGLE-EPSILON IN NUCLEIC-ACIDS publication-title: JOURNAL OF BIOMOLECULAR NMR – volume: 272 start-page: 16798 year: 1997 ident: WOS:A1997XH44600017 article-title: Hairpin formation during DNA synthesis primer realignment in vitro in triplet repeat sequences from human hereditary disease genes publication-title: JOURNAL OF BIOLOGICAL CHEMISTRY – volume: 18 start-page: 85 year: 2008 ident: WOS:000252920000009 article-title: Mechanisms and functions of DNA mismatch repair publication-title: CELL RESEARCH doi: 10.1038/cr.2007.115 |
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| Snippet | Small molecules that bind to mismatched DNA have been applied in various fields, including nanotechnology, bioimaging, and therapeutics. However, the intrinsic... |
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| SubjectTerms | Allosteric Site Base Pair Mismatch Chemistry Chemistry, Multidisciplinary DNA - chemistry Drug Design - methods Kinetics Ligands Nuclear Magnetic Resonance, Biomolecular Physical Sciences Science & Technology Thermodynamics |
| Title | NMR-Based Rational Drug Design of G:G Mismatch DNA Binding Ligand Trapping Transient Complex via Disruption of a Key Allosteric Interaction |
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