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Structure paper

TitleNovel p38alpha MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library
Journal, issue, pagesMedchemcomm, Vol. 7, Page 1332-1339, Year 2016
Publish dateJun 14, 2016 (structure data deposition date)
AuthorsPetersen, L.K. / Blakskaer, P. / Chaikuad, A. / Christensen, A.B. / Dietvorst, J. / Holmkvist, J. / Knapp, S. / Korinek, M. / Larsen, L.K. / Pedersen, A.E. ...Petersen, L.K. / Blakskaer, P. / Chaikuad, A. / Christensen, A.B. / Dietvorst, J. / Holmkvist, J. / Knapp, S. / Korinek, M. / Larsen, L.K. / Pedersen, A.E. / Rohm, S. / Slok, F.A. / Hansen, N.J.V.
External linksMedchemcomm / Search PubMed
MethodsX-ray diffraction
Resolution1.5 Å
Structure data

PDB-5lar:
Crystal structure of p38 alpha MAPK14 in complex with VPC00628
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-6SH:
5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE / protein kinase / MAPK / inhibitor complex / Structural Genomics / Structural Genomics Consortium / SGC

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