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Structure paper

TitlePrivileged Structures and Polypharmacology within and between Protein Families.
Journal, issue, pagesACS Med Chem Lett, Vol. 9, Page 1199-1204, Year 2018
Publish dateJul 11, 2018 (structure data deposition date)
AuthorsMeyers, J. / Chessum, N.E.A. / Ali, S. / Mok, N.Y. / Wilding, B. / Pasqua, A.E. / Rowlands, M. / Tucker, M.J. / Evans, L.E. / Rye, C.S. ...Meyers, J. / Chessum, N.E.A. / Ali, S. / Mok, N.Y. / Wilding, B. / Pasqua, A.E. / Rowlands, M. / Tucker, M.J. / Evans, L.E. / Rye, C.S. / O'Fee, L. / Le Bihan, Y.V. / Burke, R. / Carter, M. / Workman, P. / Blagg, J. / Brown, N. / van Montfort, R.L.M. / Jones, K. / Cheeseman, M.D.
External linksACS Med Chem Lett / PubMed:30613326
MethodsX-ray diffraction
Resolution1.54 - 1.69 Å
Structure data

PDB-6h1h:
Crystal structure of human Pirin in complex with compound 7 (PLX4720)
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-6h1i:
Crystal structure of human Pirin in complex with bisamide compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

Chemicals

ChemComp-FE:
Unknown entry

ChemComp-FJE:
[3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-FJH:
~{N}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Transcriptional coregulator / Quercetin 2 / 3-dioxygenase / Inhibitor

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