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Structure paper

TitleScreening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 14539-14552, Year 2022
Publish dateApr 5, 2022 (structure data deposition date)
AuthorsDammann, M. / Stahlecker, J. / Zimmermann, M.O. / Klett, T. / Rotzinger, K. / Kramer, M. / Coles, M. / Stehle, T. / Boeckler, F.M.
External linksJ. Med. Chem. / PubMed:36288453
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-7zh8:
DYRK1a in Complex with a Bromo-Triazolo-Pyridine
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-IWU:
6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-GOL:
GLYCEROL

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Small Molecule / Kinase / Halogen Bond

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