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Structure paper

TitleBuried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.
Journal, issue, pagesACS Med Chem Lett, Vol. 7, Page 1092-1096, Year 2016
Publish dateSep 14, 2016 (structure data deposition date)
AuthorsYang, C.Y. / Phillips, J.G. / Stuckey, J.A. / Bai, L. / Sun, H. / Delproposto, J. / Brown, W.C. / Chinnaswamy, K.
External linksACS Med Chem Lett / PubMed:27994744
MethodsX-ray diffraction
Resolution3.15 - 3.37 Å
Structure data

PDB-5tca:
Complement Factor D inhibited with JH3
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

PDB-5tcc:
Complement Factor D inhibited with JH4
Method: X-RAY DIFFRACTION / Resolution: 3.37 Å

Chemicals

ChemComp-J55:
1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-J56:
(2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / serine protease / inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex

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