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Structure paper

TitleDiscovery of small molecules that target a tertiary-structured RNA.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 119, Page e2213117119-e2213117119, Year 2022
Publish dateMay 28, 2022 (structure data deposition date)
AuthorsMenichelli, E. / Lam, B.J. / Wang, Y. / Wang, V.S. / Shaffer, J. / Tjhung, K.F. / Bursulaya, B. / Nguyen, T.N. / Vo, T. / Alper, P.B. ...Menichelli, E. / Lam, B.J. / Wang, Y. / Wang, V.S. / Shaffer, J. / Tjhung, K.F. / Bursulaya, B. / Nguyen, T.N. / Vo, T. / Alper, P.B. / McAllister, C.S. / Jones, D.H. / Spraggon, G. / Michellys, P.Y. / Joslin, J. / Joyce, G.F. / Rogers, J.
External linksProc. Natl. Acad. Sci. USA / PubMed:36413497
MethodsX-ray diffraction
Resolution1.42 - 2.7 Å
Structure data

PDB-8d28:
Crystal structure of theophylline aptamer in complex with theophylline
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-8d29:
Crystal structure of theophylline aptamer - apo form
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-8d2a:
Crystal structure of theophylline aptamer in complex with TAL3
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

PDB-8d2b:
Crystal structure of theophylline aptamer in complex with TAL2
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

PDB-8d5l:
Crystal structure of theophylline aptamer in complex with TAL1
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-8d5o:
Crystal structure of theophylline aptamer in complex with TAL4
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-8dk7:
Crystal structure of theophylline aptamer soaked with TAL2
Method: X-RAY DIFFRACTION / Resolution: 2.46 Å

Chemicals

ChemComp-TEP:
THEOPHYLLINE

ChemComp-MG:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-K:
Unknown entry

ChemComp-QB3:
6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol

ChemComp-QAX:
6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol

ChemComp-QIJ:
4-amino-8-methylpteridine-2,7(1H,8H)-dione

ChemComp-CA:
Unknown entry

ChemComp-QEU:
4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol

Source
  • synthetic construct (others)
  • homo sapiens (human)
KeywordsRNA / aptamer / theophylline / RNA/IMMUNE SYSTEM / RNA-IMMUNE SYSTEM complex

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