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Structure paper

TitleDiscovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 13, Page 118-127, Year 2022
Publish dateJun 1, 2021 (structure data deposition date)
AuthorsWang, X. / Zhao, R. / Ji, W. / Zhou, J. / Liu, Q. / Zhao, L. / Shen, Z. / Liu, S. / Xu, B.
External linksAcs Med. Chem. Lett. / PubMed:35059131
MethodsX-ray diffraction
Resolution2.76 - 3.27 Å
Structure data

PDB-7ezf:
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

PDB-7ezp:
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-7ezr:
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Method: X-RAY DIFFRACTION / Resolution: 3.27 Å

Chemicals

ChemComp-0KI:
7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid

ChemComp-FBP:
1,6-di-O-phosphono-beta-D-fructofuranose

ChemComp-HOH:
WATER

ChemComp-0GI:
3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid

ChemComp-0H1:
5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid

Source
  • homo sapiens (human)
KeywordsHYDROLASE / fructose-1 / 6-bisphosphatase / indole dicarboxylic acid derivative inhibitor / indole dicarboxylic acid derivatives / indole-2-carboxylic acids

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