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Structure paper

TitleNovel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Journal, issue, pagesBiochemistry, Vol. 37, Page 6645-6657, Year 1998
Publish dateOct 2, 1997 (structure data deposition date)
AuthorsWeir, M.P. / Bethell, S.S. / Cleasby, A. / Campbell, C.J. / Dennis, R.J. / Dix, C.J. / Finch, H. / Jhoti, H. / Mooney, C.J. / Patel, S. ...Weir, M.P. / Bethell, S.S. / Cleasby, A. / Campbell, C.J. / Dennis, R.J. / Dix, C.J. / Finch, H. / Jhoti, H. / Mooney, C.J. / Patel, S. / Tang, C.M. / Ward, M. / Wonacott, A.J. / Wharton, C.W.
External linksBiochemistry / PubMed:9578548
MethodsX-ray diffraction
Resolution2.2 - 3 Å
Structure data

PDB-1awf:
NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-1awh:
NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-GR4:
R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER

ChemComp-HOH:
WATER

ChemComp-GR3:
3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID

Source
  • hirudo medicinalis (medicinal leech)
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / PROTEINASE / BLOOD COAGULATION / TRYPSIN LIKE PROTEINASE / COMPLEX (PROTEASE-INHIBITOR) / HYDROLASE-HYDROLASE INHIBITOR complex / COMPLEX (PROTEASE/INHIBITOR) / COMPLEX (PROTEASE-INHIBITOR) complex

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