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Structure paper

TitleNovel thrombin inhibitors that are based on a macrocyclic tripeptide motif
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 6, Page 2947-2952, Year 1996
Publish dateNov 14, 1997 (structure data deposition date)
AuthorsMaryanoff, B.E. / Qiu, X. / Padmanabhan, K.P. / Tulinsky, A. / Almond Jr., H.R. / Andrade-Gordon, P. / Greco, M.N. / Kauffman, J.A. / Nicolaou, K.C. / Liu, A.
External linksBioorg. Med. Chem. Lett. / PubMed:8367461
MethodsX-ray diffraction
Resolution1.8 - 2.3 Å
Structure data

PDB-1ay6:
THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-1tmb:
MOLECULAR BASIS FOR THE INHIBITION OF HUMAN ALPHA-THROMBIN BY THE MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-1ZV:
amino({3-[(3R,5R,14S,16S,21aR)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1H-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
  • theonella sp. (invertebrata)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / COMPLEX OF SERINE PROTEASE-INHIBITOR / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / SERINE PROTEINASE

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