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TitleSynthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 15334-15348, Year 2021
Publish dateApr 28, 2021 (structure data deposition date)
AuthorsLi, X.P. / Harijan, R.K. / Cao, B. / Kahn, J.N. / Pierce, M. / Tsymbal, A.M. / Roberge, J.Y. / Augeri, D. / Tumer, N.E.
External linksJ. Med. Chem. / PubMed:34648707
MethodsX-ray diffraction
Resolution1.52 - 1.8 Å
Structure data

PDB-7mln:
Crystal structure of ricin A chain in complex with 5-(o-tolyl)thiophene-2-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-7mlo:
Crystal structure of ricin A chain in complex with 5-mesitylthiophene-2-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7mlp:
Crystal structure of ricin A chain in complex with 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-7mlt:
Crystal structure of ricin A chain in complex with 5-(2-ethylphenyl)thiophene-2-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-ZJA:
5-(2-methylphenyl)thiophene-2-carboxylic acid

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-ZJ7:
5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-SO4:
SULFATE ION

ChemComp-ZJ4:
5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid

ChemComp-ZN:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-ZJD:
5-(2-ethylphenyl)thiophene-2-carboxylic acid

Source
  • ricinus communis (castor bean)
KeywordsHydrolase/Hydrolase Inhibitor / Ricin chain-A / RTA / Hydrolase / Toxin / Inhibitor / Hydrolase-Hydrolase Inhibitor complex

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