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Structure paper

TitleLeveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Journal, issue, pagesCell Chem Biol, Vol. 26, Page 818-829.e9, Year 2019
Publish dateAug 28, 2017 (structure data deposition date)
AuthorsRao, S. / Gurbani, D. / Du, G. / Everley, R.A. / Browne, C.M. / Chaikuad, A. / Tan, L. / Schroder, M. / Gondi, S. / Ficarro, S.B. ...Rao, S. / Gurbani, D. / Du, G. / Everley, R.A. / Browne, C.M. / Chaikuad, A. / Tan, L. / Schroder, M. / Gondi, S. / Ficarro, S.B. / Sim, T. / Kim, N.D. / Berberich, M.J. / Knapp, S. / Marto, J.A. / Westover, K.D. / Sorger, P.K. / Gray, N.S.
External linksCell Chem Biol / PubMed:30982749
MethodsX-ray diffraction
Resolution2.05 - 2.402 Å
Structure data

PDB-6ate:
SRC kinase bound to covalent inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.402 Å

PDB-6g54:
Crystal structure of ERK2 covalently bound to SM1-71
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-6ges:
Crystal structure of ERK1 covalently bound to SM1-71
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

Chemicals

ChemComp-6H3:
N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-EWH:
~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / KINASE / PHOSPHORYLATION / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / TRANSFERASE / covalent inhibitor / MAPK / Structural Genomics / Structural Genomics Consortium / SGC

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