9VZW

A solution NMR model of Z-form DNA binding with ligand CBL0137

This is a non-PDB format compatible entry.

Summary for 9VZW

• Entry DOI: 10.2210/pdb9vzw/pdb
• NMR Information: BMRB: 36774
• Descriptor: DNA (5'-D(*CP*GP*CP*(FG)P*CP*G)-3'), CBL0137 (2 entities in total)
• Functional Keywords: z-form dna, ligand cbl0137, dna-ligand complex, solution nmr model, dna
• Biological source: Homo sapiens
• Total number of polymer chains: 2
• Total formula weight: 4465.24

Authors

Wang, S.Y.,Liu, F.F.,Xu, Y. (deposition date: 2025-07-23, release date: 2025-08-06, Last modification date: 2026-02-18)

Primary citation

Liu, F.,Wang, S.,Xu, Y.
Solution structure of Z-form DNA bound to a curaxin ligand CBL0137.
Nucleic Acids Res., 54:-, 2026

PubMed Abstract: Z-DNA is known to be a left-handed alternative form of DNA and has important biological roles in cancer and other genetic diseases. In a recent study, we discovered CBL0137, a curaxin ligand, to enhance cancer immunotherapy by inducing Z-DNA formation and activating the Z-DNA-binding protein ZBP1. However, the structural information on binding complexes between Z-DNA and CBL0137 ligand has not reported to date. Here we present the first high-resolution structure of the complex between a Z-DNA and a curaxin ligand CBL0137. This compound is observed to interact with the Z-DNA through π-stacking and zig-zag localization. Furthermore, we directly observe the complex in living human cells using in-cell 19F NMR for the first time. This structural information provides a platform for the design of topology-specific Z-DNA-targeting compounds and is valuable for the development of new potent anticancer drugs.

PubMed: 41665010
DOI: 10.1093/nar/gkag104

Experimental method

SOLUTION NMR