12AE

NMR structure and free-energy simulations for rational design of myotonic dystrophy RNA inhibitors

This is a non-PDB format compatible entry.

Summary for 12AE

• Entry DOI: 10.2210/pdb12ae/pdb
• Descriptor: RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3'), 2-(dimethylamino)ethyl {(5P)-1-{[2-(dimethylamino)ethyl]amino}-5-[5-(4-methylpiperazin-1-yl)pyridin-3-yl]isoquinolin-3-yl}carbamate (2 entities in total)
• Functional Keywords: myotonic dystrophy, rna complex, u-u internal loop, rna, rna duplex
• Biological source: Homo sapiens
• Total number of polymer chains: 2
• Total formula weight: 8787.67

Authors

Baisden, J.T.,Ainsley, J.,Ledeboer, M. (deposition date: 2026-03-22, release date: 2026-10-07)

• Primary citation: Ledeboer, M.,Ainsley, J.,Baisden, J.T.,Ray, S.,Connolly, P.,Sinha, M.,Ha, V.,Sollomoni, I.,Angelbello, A.,Arsenault, M.,Bourque, E.,Skerlj, R.,Wang, Y.,Sun, Y.; NMR structure and free-energy simulations for rational design of myotonic dystrophy RNA inhibitors; To Be Published,

Experimental method

SOLUTION NMR