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Title10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 3131-3143, Year 2015
Publish dateMar 5, 2015 (structure data deposition date)
AuthorsFalke, H. / Chaikuad, A. / Becker, A. / Loaec, N. / Lozach, O. / Abu Jhaisha, S. / Becker, W. / Jones, P.G. / Preu, L. / Baumann, K. ...Falke, H. / Chaikuad, A. / Becker, A. / Loaec, N. / Lozach, O. / Abu Jhaisha, S. / Becker, W. / Jones, P.G. / Preu, L. / Baumann, K. / Knapp, S. / Meijer, L. / Kunick, C.
External linksJ. Med. Chem. / PubMed:25730262
MethodsX-ray diffraction
Resolution1.4 - 2.58 Å
Structure data

PDB-4ylj:
Crystal structure of DYRK1A in complex with 10-Iodo-substituted 11H-indolo[3,2-c]quinoline-6-carboxylic acid inhibitor 5j
Method: X-RAY DIFFRACTION / Resolution: 2.58 Å

PDB-4ylk:
Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-4yll:
Crystal structure of DYRK1AA in complex with 10-Bromo-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5t
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-4E1:
10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-4E2:
10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

ChemComp-IOD:
IODIDE ION

ChemComp-4E3:
10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / halogen / inhibitor / Structural Genomics / Structural Genomics Consortium / SGC / TRANSFERASE-TRANSFERASE INHIBITOR complex

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