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TitleModulation of activation-loop phosphorylation by JAK inhibitors is binding mode dependent.
Journal, issue, pagesCancer Discov, Vol. 2, Page 512-523, Year 2012
Publish dateNov 2, 2011 (structure data deposition date)
AuthorsAndraos, R. / Qian, Z. / Bonenfant, D. / Rubert, J. / Vangrevelinghe, E. / Scheufler, C. / Marque, F. / Regnier, C.H. / De Pover, A. / Ryckelynck, H. ...Andraos, R. / Qian, Z. / Bonenfant, D. / Rubert, J. / Vangrevelinghe, E. / Scheufler, C. / Marque, F. / Regnier, C.H. / De Pover, A. / Ryckelynck, H. / Bhagwat, N. / Koppikar, P. / Goel, A. / Wyder, L. / Tavares, G. / Baffert, F. / Pissot-Soldermann, C. / Manley, P.W. / Gaul, C. / Voshol, H. / Levine, R.L. / Sellers, W.R. / Hofmann, F. / Radimerski, T.
External linksCancer Discov / PubMed:22684457
MethodsX-ray diffraction
Resolution1.34 Å
Structure data

PDB-3ugc:
Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594
Method: X-RAY DIFFRACTION / Resolution: 1.34 Å

Chemicals

ChemComp-046:
5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide

ChemComp-MLI:
MALONATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/transferase inhibitor / Small molecule inhibitor / ATP Binding / Transferase-transferase inhibitor complex

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