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Structure paper

TitleDiscovery of hydroxy pyrimidine Factor IXa inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 127279-127279, Year 2020
Publish dateMay 26, 2020 (structure data deposition date)
AuthorsJayne, C.L. / Andreani, T. / Chan, T.Y. / Chelliah, M.V. / Clasby, M.C. / Dwyer, M. / Eagen, K.A. / Fried, S. / Greenlee, W.J. / Guo, Z. ...Jayne, C.L. / Andreani, T. / Chan, T.Y. / Chelliah, M.V. / Clasby, M.C. / Dwyer, M. / Eagen, K.A. / Fried, S. / Greenlee, W.J. / Guo, Z. / Hawes, B. / Hruza, A. / Ingram, R. / Keertikar, K.M. / Neelamkavil, S. / Reichert, P. / Xia, Y. / Chackalamannil, S.
External linksBioorg. Med. Chem. Lett. / PubMed:32527459
MethodsX-ray diffraction
Resolution1.997 - 2.513 Å
Structure data

PDB-6x5j:
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.513 Å

PDB-6x5l:
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.246 Å

PDB-6x5p:
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.997 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-6NH:
2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE

ChemComp-NA:
Unknown entry

ChemComp-CIT:
CITRIC ACID

ChemComp-HOH:
WATER

ChemComp-UQG:
4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide

ChemComp-UQD:
3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide

Source
  • homo sapiens (human)
KeywordsBLOOD CLOTTING / SERINE PROTEASE / ZYMOGEN / HYDROLASE / GLYCOPROTEIN / HYDROXYLATION / PHOSPHOPROTEIN / SULFATION / HEMOSTASIS / HEMOPHILIA / XASE-LIKE VARIANT / COMMUNICATION CHANNEL / GAMMA-CARBOXYGLUTAMIC ACID / EGF-LIKE DOMAIN / DISEASE MUTATION

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