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Structure paper

TitleTargeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Journal, issue, pagesNat Commun, Vol. 15, Page 8607-8607, Year 2024
Publish dateJul 13, 2023 (structure data deposition date)
AuthorsPoti, A.L. / Balint, D. / Alexa, A. / Sok, P. / Ozsvath, K. / Albert, K. / Turczel, G. / Magyari, S. / Ember, O. / Papp, K. ...Poti, A.L. / Balint, D. / Alexa, A. / Sok, P. / Ozsvath, K. / Albert, K. / Turczel, G. / Magyari, S. / Ember, O. / Papp, K. / Kiraly, S.B. / Imre, T. / Nemeth, K. / Kurtan, T. / Gogl, G. / Varga, S. / Soos, T. / Remenyi, A.
External linksNat Commun / PubMed:39366929
MethodsX-ray diffraction
Resolution1.65 - 2.55 Å
Structure data

PDB-8psr:
ERK2 covalently bound to SynthRevD-12-opt artificial peptide
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-8pst:
ERK2 covelently bound to RU60 cyclohexenone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-8psw:
ERK2 covalently bound to RU67 cyclohexenone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8psy:
ERK2 covelently bound to RU68 cyclohexenone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-8pt0:
ERK2 covelently bound to RU75 cyclohexenone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-8pt1:
ERK2 covelently bound to RU76 cyclohexenone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-8pt3:
ERK2 covelently bound to RU77 cyclohexenone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-8pt5:
ERK2 covelently bound to RU187 cyclohexenone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-AN2:
AMP PHOSPHORAMIDATE


ChemComp, No image

ChemComp-DC6:
Unknown entry


ChemComp, No image

ChemComp-D2I:
Unknown entry


ChemComp, No image

ChemComp-EI0:
Unknown entry


ChemComp, No image

ChemComp-EAI:
Unknown entry


ChemComp, No image

ChemComp-E2A:
Unknown entry


ChemComp, No image

ChemComp-D7O:
Unknown entry


ChemComp, No image

ChemComp-D5R:
Unknown entry

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsSIGNALING PROTEIN / MAPK kinase / MAPK / inhibitor / covalent / ERK2 / Michael acceptor warhead

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