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Structure paper

TitleThe BTK Inhibitor ARQ 531 Targets Ibrutinib-Resistant CLL and Richter Transformation.
Journal, issue, pagesCancer Discov, Vol. 8, Page 1300-1315, Year 2018
Publish dateJul 17, 2018 (structure data deposition date)
AuthorsReiff, S.D. / Mantel, R. / Smith, L.L. / Greene, J.T. / Muhowski, E.M. / Fabian, C.A. / Goettl, V.M. / Tran, M. / Harrington, B.K. / Rogers, K.A. ...Reiff, S.D. / Mantel, R. / Smith, L.L. / Greene, J.T. / Muhowski, E.M. / Fabian, C.A. / Goettl, V.M. / Tran, M. / Harrington, B.K. / Rogers, K.A. / Awan, F.T. / Maddocks, K. / Andritsos, L. / Lehman, A.M. / Sampath, D. / Lapalombella, R. / Eathiraj, S. / Abbadessa, G. / Schwartz, B. / Johnson, A.J. / Byrd, J.C. / Woyach, J.A.
External linksCancer Discov / PubMed:30093506
MethodsX-ray diffraction
Resolution1.15 Å
Structure data

PDB-6e4f:
Crystal structure of ARQ 531 in complex with the kinase domain of BTK
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

Chemicals

ChemComp-HRA:
1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol

ChemComp-IMD:
IMIDAZOLE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN/inhibitor / inhibitor / complex / SIGNALING PROTEIN / SIGNALING PROTEIN-inhibitor complex

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