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TitleDiscovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 15629-15638, Year 2021
Publish dateFeb 23, 2021 (structure data deposition date)
AuthorsRubbelke, M. / Hamilton, J. / Binder, F. / Bauer, M. / King, J. / Nar, H. / Zeeb, M.
External linksJ. Med. Chem. / PubMed:34672548
MethodsNMR (solution)
Structure data

PDB-7nm2:
Solution structure of MLKL executioner domain in complex with a fragment
Method: SOLUTION NMR

PDB-7nm4:
Solution structure of MLKL executioner domain in complex with a fragment
Method: SOLUTION NMR

PDB-7nm5:
Solution structure of MLKL executioner domain in complex with a fragment
Method: SOLUTION NMR

Chemicals

ChemComp-UJ5:
2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid

ChemComp-UJ8:
(~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol

ChemComp-UJ2:
2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid

Source
  • homo sapiens (human)
KeywordsLIPID BINDING PROTEIN / Necroptosis

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