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Structure paper

TitleNovel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 4839-, Year 2015
Publish dateMar 27, 2015 (structure data deposition date)
AuthorsHalland, N. / Bronstrup, M. / Czech, J. / Czechtizky, W. / Evers, A. / Follmann, M. / Kohlmann, M. / Schiell, M. / Kurz, M. / Schreuder, H.A. / Kallus, C.
External linksJ. Med. Chem. / PubMed:25990761
MethodsX-ray diffraction
Resolution1.94 - 2.18 Å
Structure data

PDB-4uia:
Crystal structure of 3a in complex with tafCPB
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-4uib:
Crystal structure of 3p in complex with tafCPB
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-FH9:
(2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid

ChemComp-HOH:
WATER

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-GWX:
(2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID

Source
  • sus scrofa (pig)
KeywordsHYDROLASE / TAFI / CARBOXYPEPTIDASE / THROMBOSIS / FIBRINOLYSIS / DRUG DISCOVERY

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