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Structure paper

TitlePhosphinanes and Azaphosphinanes as Potent and Selective Inhibitors of Activated Thrombin-Activatable Fibrinolysis Inhibitor (TAFIa).
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 3897-3910, Year 2021
Publish dateFeb 3, 2021 (structure data deposition date)
AuthorsSchaffner, A.P. / Sansilvestri-Morel, P. / Despaux, N. / Ruano, E. / Persigand, T. / Rupin, A. / Mennecier, P. / Vallez, M.O. / Raimbaud, E. / Desos, P. / Gloanec, P.
External linksJ. Med. Chem. / PubMed:33764059
MethodsX-ray diffraction
Resolution2.55 - 2.8 Å
Structure data

PDB-7nee:
Inhibitor Complex with Thrombin Activatable Fibrinolysis inhibitor (TAFIa)
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-7neu:
Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (TAFIa)
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-U9B:
(1R,3S)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-U9K:
(1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Inhibitor / Complex

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