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Structure paper

TitleSHAPE-enabled fragment-based ligand discovery for RNA.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 119, Page e2122660119-e2122660119, Year 2022
Publish dateFeb 16, 2022 (structure data deposition date)
AuthorsZeller, M.J. / Favorov, O. / Li, K. / Nuthanakanti, A. / Hussein, D. / Michaud, A. / Lafontaine, D.A. / Busan, S. / Serganov, A. / Aube, J. / Weeks, K.M.
External linksProc. Natl. Acad. Sci. USA / PubMed:35561226
MethodsX-ray diffraction
Resolution2.21 - 2.96 Å
Structure data

PDB-7tzr:
Crystal structure of the E. coli thiM riboswitch bound to N-methyl-1-(quinoxalin-6-yl)methanamine (compound 16)
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-7tzs:
Crystal structure of the E. coli thiM riboswitch in complex with quinoxalin-6-ylmethanamine (compound 17)
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-7tzt:
Crystal structure of the E. coli thiM riboswitch in complex with N1,N1-dimethyl-N2-(quinoxalin-6-ylmethyl)ethane-1,2-diamine (linked compound 37)
Method: X-RAY DIFFRACTION / Resolution: 2.96 Å

PDB-7tzu:
Crystal structure of the E. coli thiM riboswitch bound to 1-(4-(piperazin-1-yl)pyridin-3-yl)-N-(quinoxalin-6-ylmethyl)methanamine (linked compound 38)
Method: X-RAY DIFFRACTION / Resolution: 2.87 Å

Chemicals

ChemComp-KWU:
N-methyl-1-(quinoxalin-6-yl)methanamine

ChemComp-MG:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-KX3:
1-(quinoxalin-6-yl)methanamine

ChemComp-MN:
Unknown entry

ChemComp-KXC:
6-methylquinoxaline

ChemComp-KWL:
1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine

Source
  • escherichia coli (E. coli)
KeywordsRNA / thiM TPP riboswitch

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