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TitleDesign, synthesis and selection of DNA-encoded small-molecule libraries.
Journal, issue, pagesNat. Chem. Biol., Vol. 5, Page 647-654, Year 2009
Publish dateMay 1, 2009 (structure data deposition date)
AuthorsClark, M.A. / Acharya, R.A. / Arico-Muendel, C.C. / Belyanskaya, S.L. / Benjamin, D.R. / Carlson, N.R. / Centrella, P.A. / Chiu, C.H. / Creaser, S.P. / Cuozzo, J.W. ...Clark, M.A. / Acharya, R.A. / Arico-Muendel, C.C. / Belyanskaya, S.L. / Benjamin, D.R. / Carlson, N.R. / Centrella, P.A. / Chiu, C.H. / Creaser, S.P. / Cuozzo, J.W. / Davie, C.P. / Ding, Y. / Franklin, G.J. / Franzen, K.D. / Gefter, M.L. / Hale, S.P. / Hansen, N.J. / Israel, D.I. / Jiang, J. / Kavarana, M.J. / Kelley, M.S. / Kollmann, C.S. / Li, F. / Lind, K. / Mataruse, S. / Medeiros, P.F. / Messer, J.A. / Myers, P. / O'Keefe, H. / Oliff, M.C. / Rise, C.E. / Satz, A.L. / Skinner, S.R. / Svendsen, J.L. / Tang, L. / van Vloten, K. / Wagner, R.W. / Yao, G. / Zhao, B. / Morgan, B.A.
External linksNat. Chem. Biol. / PubMed:19648931
MethodsX-ray diffraction
Resolution2.36 - 2.48 Å
Structure data

PDB-3ha6:
Crystal structure of aurora A in complex with TPX2 and compound 10
Method: X-RAY DIFFRACTION / Resolution: 2.36 Å

PDB-3ha8:
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

Chemicals

ChemComp-2JZ:
N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine

ChemComp-HOH:
WATER

ChemComp-5JZ:
N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / AURORA A / SERINE/THREONINE-PROTEIN KINASE / COFACTOR / TPX2 / INHIBITOR / PHOSPHORYLATION / ATP-BINDING / CELL CYCLE / NUCLEOTIDE-BINDING / PHOSPHOPROTEIN / NUCLEUS / Kinase / MAP KINASE / SERINE/ THREONINE-PROTEIN KINASE / P38

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