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Structure paper

TitleStructure-Guided Development of Selective RabGGTase Inhibitors.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 50, Page 4957-4961, Year 2011
Publish dateDec 14, 2010 (structure data deposition date)
AuthorsBon, R.S. / Guo, Z. / Stigter, E.A. / Wetzel, S. / Menninger, S. / Wolf, A. / Choidas, A. / Alexandrov, K. / Blankenfeldt, W. / Goody, R.S. / Waldmann, H.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:21520375
MethodsX-ray diffraction
Resolution1.95 - 2.35 Å
Structure data

PDB-3pz1:
Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS3
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-3pz2:
Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS3 and lipid substrate GGPP
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-3pz3:
Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS-analogue 14
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3pz4:
Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10) in complex with BMS3 and lipid substrate FPP
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-3PZ:
(3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-GRG:
GERANYLGERANYL DIPHOSPHATE

ChemComp-PZ3:
4-({(3R)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate

ChemComp-FPP:
FARNESYL DIPHOSPHATE

Source
  • rattus norvegicus (Norway rat)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / protein prenylation / TRANSFERASE-TRANSFERASE INHIBITOR complex / fusion protein / chimera protein

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