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TitleReversible covalent c-Jun N-terminal kinase inhibitors targeting a specific cysteine by precision-guided Michael-acceptor warheads.
Journal, issue, pagesNat Commun, Vol. 15, Page 8606-8606, Year 2024
Publish dateJul 13, 2023 (structure data deposition date)
AuthorsBalint, D. / Poti, A.L. / Alexa, A. / Sok, P. / Albert, K. / Torda, L. / Foldesi-Nagy, D. / Csokas, D. / Turczel, G. / Imre, T. ...Balint, D. / Poti, A.L. / Alexa, A. / Sok, P. / Albert, K. / Torda, L. / Foldesi-Nagy, D. / Csokas, D. / Turczel, G. / Imre, T. / Szarka, E. / Fekete, F. / Bento, I. / Bojtar, M. / Palko, R. / Szabo, P. / Monostory, K. / Papai, I. / Soos, T. / Remenyi, A.
External linksNat Commun / PubMed:39366946
MethodsX-ray diffraction
Resolution2.41 - 2.78 Å
Structure data

PDB-8pt8:
JNK1 covalently bound to RU135 cyclohexenone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.78 Å

PDB-8pt9:
JNK1 covalently bound to BD838 cyclohexenone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-8pta:
JNK1 covalently bound to BD837 cyclohexenone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

Chemicals


ChemComp, No image

ChemComp-A3O:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-DVI:
Unknown entry


ChemComp, No image

ChemComp-CIF:
Unknown entry

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / MAPK kinase / MAPK / inhibitor / covalent / JNK / Michael acceptor warhead

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