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Structure paper

TitleATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Journal, issue, pagesPlos One, Vol. 11, Page e0165983-e0165983, Year 2016
Publish dateJun 28, 2016 (structure data deposition date)
AuthorsMa, B. / Marcotte, D. / Paramasivam, M. / Michelsen, K. / Wang, T. / Bertolotti-Ciarlet, A. / Jones, J.H. / Moree, B. / Butko, M. / Salafsky, J. ...Ma, B. / Marcotte, D. / Paramasivam, M. / Michelsen, K. / Wang, T. / Bertolotti-Ciarlet, A. / Jones, J.H. / Moree, B. / Butko, M. / Salafsky, J. / Sun, X. / McKee, T. / Silvian, L.F.
External linksPlos One / PubMed:27832137
MethodsX-ray diffraction
Resolution2.16 - 2.88 Å
Structure data

PDB-5knj:
Pseudokinase Domain of MLKL bound to Compound 1.
Method: X-RAY DIFFRACTION / Resolution: 2.88 Å

PDB-5ko1:
Pseudokinase Domain of MLKL bound to Compound 4.
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

Chemicals

ChemComp-6UX:
1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea

ChemComp-HOH:
WATER

ChemComp-6UY:
[(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate

Source
  • homo sapiens (human)
KeywordsMEMBRANE PROTEINS/INHIBITOR / Pseudokinase domain MLKL Compound 1 GFE Out Type 2 inhibitor / MEMBRANE PROTEINS-INHIBITOR complex / Pseudokinase domain MLKL Type1 inhibitor

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