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Structure paper

TitleSmall molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Journal, issue, pagesNature, Vol. 497, Page 638-642, Year 2013
Publish dateMar 25, 2013 (structure data deposition date)
AuthorsZimmermann, G. / Papke, B. / Ismail, S. / Vartak, N. / Chandra, A. / Hoffmann, M. / Hahn, S.A. / Triola, G. / Wittinghofer, A. / Bastiaens, P.I. / Waldmann, H.
External linksNature / PubMed:23698361
MethodsX-ray diffraction
Resolution1.45 - 2.4 Å
Structure data

PDB-4jv6:
The crystal structure of PDE6D in complex to inhibitor-1
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-4jv8:
The crystal structure of PDE6D in complex with rac-S1
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-4jvb:
Crystal structure of PDE6D in complex with the inhibitor rac-2
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-4jvf:
The Crystal structure of PDE6D in complex with the inhibitor (s)-5
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-18F:
1-benzyl-2-phenyl-1H-benzimidazole

ChemComp-HOH:
WATER

ChemComp-1M1:
(6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline

ChemComp-1M0:
1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole

ChemComp-17X:
(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate

Source
  • homo sapiens (human)
KeywordsProtein binding/inhibitor / Immunoglobulin-like beta-sandwich / GDI-Like solubilizing factor / Prenyl binding protein / Protein binding-inhibitor complex / prenyl binding

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