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Structure paper

TitleDesign, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 7, Page 780-784, Year 2016
Publish dateFeb 8, 2016 (structure data deposition date)
AuthorsShah, R. / Strom, A. / Zhou, A. / Maize, K.M. / Finzel, B.C. / Wagner, C.R.
External linksAcs Med. Chem. Lett. / PubMed:27563403
MethodsX-ray diffraction
Resolution1.25 - 1.6 Å
Structure data

PDB-5i2e:
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound Sulfamate Inhibitor 3a:3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5i2f:
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide inhibitor Bio-AMS
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-67D:
3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-BS5:
5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HINT / histidine triad / HIT / HYDROLASE-HYDROLASE INHIBITOR complex / Hydrolase Inhibitor complex

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