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Structure paper

TitleEnabling structure-based drug design of Tyk2 through co-crystallization with a stabilizing aminoindazole inhibitor.
Journal, issue, pagesBmc Struct. Biol., Vol. 12, Page 22-22, Year 2012
Publish dateMar 7, 2012 (structure data deposition date)
AuthorsArgiriadi, M.A. / Goedken, E.R. / Banach, D. / Borhani, D.W. / Burchat, A. / Dixon, R.W. / Marcotte, D. / Overmeyer, G. / Pivorunas, V. / Sadhukhan, R. ...Argiriadi, M.A. / Goedken, E.R. / Banach, D. / Borhani, D.W. / Burchat, A. / Dixon, R.W. / Marcotte, D. / Overmeyer, G. / Pivorunas, V. / Sadhukhan, R. / Sousa, S. / Moore, N.S. / Tomlinson, M. / Voss, J. / Wang, L. / Wishart, N. / Woller, K. / Talanian, R.V.
External linksBmc Struct. Biol. / PubMed:22995073
MethodsX-ray diffraction
Resolution2.5 - 2.6 Å
Structure data

PDB-4e1z:
Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4e20:
Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-0MX:
N-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]furan-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-0MY:
N-[4-(3-amino-1H-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase catalytic domain / kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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