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Structure paper

TitleD-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 13, Page 2029-2033, Year 2003
Publish dateFeb 19, 2003 (structure data deposition date)
AuthorsLange, U.E. / Bauke, D. / Hornberger, W. / Mack, H. / Seitz, W. / Hoeffken, H.W.
External linksBioorg. Med. Chem. Lett. / PubMed:12781189
MethodsX-ray diffraction
Resolution2.18 - 2.44 Å
Structure data

PDB-1nzq:
D-Phe-Pro-Arg-Type Thrombin Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-1o0d:
Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

Chemicals

ChemComp-162:
(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID

ChemComp-HOH:
WATER

ChemComp-163:
(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / thrombin / thrombin inhibitor / BLOOD CLOTTING / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / BLOOD CLOTTING/HYDROLASE INHIBITOR / ternary complex; thrombin-active-site inhibitor-exo-site inhibitor / BLOOD CLOTTING-HYDROLASE INHIBITOR COMPLEX

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