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Structure paper

TitleHigh-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 68, Page 404-408, Year 2012
Publish dateJun 30, 2011 (structure data deposition date)
AuthorsFradera, X. / Kazemier, B. / Carswell, E. / Cooke, A. / Oubrie, A. / Hamilton, W. / Dempster, M. / Krapp, S. / Nagel, S. / Jestel, A.
External linksActa Crystallogr. ,Sect. F / PubMed:22505407
MethodsX-ray diffraction
Resolution1.8 - 2.58 Å
Structure data

PDB-3sor:
Factor XIa in complex with a clorophenyl-tetrazole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3sos:
Benzothiazinone inhibitor in complex with FXIa
Method: X-RAY DIFFRACTION / Resolution: 2.58 Å

Chemicals

ChemComp-CIT:
CITRIC ACID

ChemComp-O58:
{4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid

ChemComp-HOH:
WATER

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-O61:
N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase inhibitor / hydrolase / serine protease / coagulation factor / syntethic inhibitor / blood / Hydrolase-Hydrolase inhibitor complex

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