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Structure paper

TitlePeptide ligands stabilized by small molecules.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 53, Page 1602-1606, Year 2014
Publish dateSep 11, 2013 (structure data deposition date)
AuthorsChen, S. / Bertoldo, D. / Angelini, A. / Pojer, F. / Heinis, C.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:24453110
MethodsX-ray diffraction
Resolution1.49 - 1.85 Å
Structure data

PDB-4mnv:
Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4mnw:
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK749
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-4mnx:
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK811
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4mny:
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK903
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-ACT:
ACETATE ION

ChemComp-ZBR:
1,3,5-tris(bromomethyl)benzene

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-29N:
1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one

ChemComp-29O:
N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / acyl-enzyme intermediate / inhibitor / protease / 1 / 3 / 5-tris(bromomethyl)benzene (TBMB) cyclization / extracellular / HYDROLASE-HYDROLASE INHIBITOR complex / competitive inhibitor / bicyclic peptide / 1' / 1''-(1 / 5-triazinane-1 / 5-triyl)triprop-2-en-1-one (TATA) cyclization / N / N' / N''-(benzene-1 / 5-triyl)tris(2-bromoacetamide) (TBAB) cyclization

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