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Structure paper

TitleMultipolar Interactions in the D Pocket of Thrombin: Large Differences between Tricyclic Imide and Lactam Inhibitors.
Journal, issue, pagesOrg. Biomol. Chem., Vol. 4, Page 2364-, Year 2006
Publish dateFeb 17, 2006 (structure data deposition date)
AuthorsSchweizer, E. / Hoffmann-Roeder, A. / Olsen, J.A. / Seiler, P. / Obst-Sander, U. / Wagner, B. / Kansy, M. / Banner, D.W. / Diederich, F.
External linksOrg. Biomol. Chem. / PubMed:16763681
MethodsX-ray diffraction
Resolution1.3 - 1.79 Å
Structure data

PDB-2cf8:
Complex of recombinant human thrombin with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-2cf9:
Complex of recombinant human thrombin with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

Chemicals

ChemComp-ESH:
4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE

ChemComp-NA:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-348:
4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE/INHIBITOR / ACUTE PHASE / BLOOD COAGULATION / CALCIUM-BINDING / GLYCOPROTEIN / HYDOLASE / SERINE PROTEASE / SERINE PROTEASE INHIBITOR COMPLEX / COMPLEX HYDROLASE-INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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