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Structure paper

TitleDevelopment of a high-throughput crystal structure-determination platform for JAK1 using a novel metal-chelator soaking system.
Journal, issue, pagesActa Crystallogr F Struct Biol Commun, Vol. 72, Page 840-845, Year 2016
Publish dateJun 16, 2016 (structure data deposition date)
AuthorsCaspers, N.L. / Han, S. / Rajamohan, F. / Hoth, L.R. / Geoghegan, K.F. / Subashi, T.A. / Vazquez, M.L. / Kaila, N. / Cronin, C.N. / Johnson, E. / Kurumbail, R.G.
External linksActa Crystallogr F Struct Biol Commun / PubMed:27827355
MethodsX-ray diffraction
Resolution2.4 - 2.47 Å
Structure data

PDB-5khw:
Crystal structure of JAK1 in complex with ADP
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

PDB-5khx:
Crystal structure of JAK1 in complex with PF-4950736
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-6TE:
~{N}-[3-[methyl(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / JAK1 / Kinase / Inhibitor / Complex / transferase/transferase INHIBITOR / transferase-transferase INHIBITOR complex

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