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Structure paper

TitleStructure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Journal, issue, pagesAcs Chem. Biol., Vol. 10, Page 1118-1127, Year 2015
Publish dateJul 29, 2014 (structure data deposition date)
AuthorsHilbert, B.J. / Morris, B.L. / Ellis, K.C. / Paulsen, J.L. / Schiffer, C.A. / Grossman, S.R. / Royer, W.E.
External linksAcs Chem. Biol. / PubMed:25636004
MethodsX-ray diffraction
Resolution2.1 - 2.3 Å
Structure data

PDB-4u6q:
CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4u6s:
CtBP1 in complex with substrate phenylpyruvate
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-NAI:
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

ChemComp-3CR:
(2E)-2-(hydroxyimino)-3-phenylpropanoic acid

ChemComp-CA:
Unknown entry

ChemComp-FMT:
FORMIC ACID

ChemComp-HOH:
WATER

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-PPY:
3-PHENYLPYRUVIC ACID

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Rossman fold / transcription regulator / cancer / inhibitor / substrate

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