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Structure paper

TitleIs NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions?
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 5, Page 23-, Year 2014
Publish dateApr 29, 2013 (structure data deposition date)
AuthorsDias, D.M. / Van Molle, I. / Baud, M.G.J. / Galdeano, C. / Geraldes, C.F.G.C. / Ciulli, A.
External linksAcs Med. Chem. Lett. / PubMed:24436777
MethodsX-ray diffraction
Resolution2.2 - 2.35 Å
Structure data

PDB-4bks:
von Hippel Lindau protein:ElonginB:ElonginC complex, in complex with (2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4bkt:
von Hippel Lindau protein:ElonginB:ElonginC complex, in complex with (2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-X6C:
(2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-QD0:
(2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

ChemComp-GLU:
GLUTAMIC ACID

ChemComp-ARG:
ARGININE

Source
  • homo sapiens (human)
KeywordsPROTEIN TRANSPORT / E3 UBIQUITIN LIGASE / FRAGMENT BASED DRUG DISCOVERY / LIGASE

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