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Structure paper

TitleFragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 51, Page 905-, Year 2012
Publish dateNov 14, 2011 (structure data deposition date)
AuthorsNazare, M. / Matter, H. / Will, D.W. / Wagner, M. / Urmann, M. / Czech, J. / Schreuder, H. / Bauer, A. / Ritter, K. / Wehner, V.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:22190348
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-4a7i:
Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-A7I:
5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / BLOOD COAGULATION FACTOR / CALCIUM- BINDING / EGF-LIKE DOMAIN / GAMMA-CARBOXYGLUTAMIC ACID / GLYCOPROTEIN / HYDROXYLATION / SERINE PROTEINASE / SERINE PROTEASE

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