7UID

Thyclotides peptide nucleic acid in complex with DNA

7UID の概要

• エントリーDOI: 10.2210/pdb7uid/pdb
• 分子名称: DNA (5'-D(*GP*AP*TP*GP*TP*GP*AP*TP*A)-3'), Thyclotide, ZINC ION, ... (5 entities in total)
• 機能のキーワード: thyclotides, peptide nucleic acid, pna, peptide nucleic acid-dna complex, dna-peptide nucleic acid complex, dna/peptide nucleic acid
• 由来する生物種: synthetic construct; 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 12114.43

構造登録者

Botos, I.,Appella, D.H. (登録日: 2022-03-29, 公開日: 2023-04-05, 最終更新日: 2025-07-02)

主引用文献

Zheng, H.,Clausse, V.,Amarasekara, H.,Mazur, S.J.,Botos, I.,Appella, D.H.
Variation of Tetrahydrofurans in Thyclotides Enhances Oligonucleotide Binding and Cellular Uptake of Peptide Nucleic Acids.
Jacs Au, 3:1952-1964, 2023

PubMed Abstract: Selective incorporation of conformational constraints into thyclotides can be used to modulate their binding to complementary oligonucleotides, increase polarity, and optimize uptake into HCT116 cells without assistance from moieties known to promote cell uptake. The X-ray structure and biophysical studies of a thyclotide-DNA duplex reveal that incorporation of tetrahydrofurans into an PNA backbone promotes a helical conformation that enhances binding to complementary DNA and RNA. Selective incorporation of tetrahydrofurans into the PNA backbone allows polarity to be increased incrementally so that uptake into HCT116 cells can be optimized. The enhanced binding, polarity, and cellular uptake properties of thyclotides were used to demonstrate effective inhibition of microRNA-21 in HCT116 cells.

PubMed: 37502163
DOI: 10.1021/jacsau.3c00198

実験手法

X-RAY DIFFRACTION (2 Å)