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TitleSynthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors.
Journal, issue, pagesChemmedchem, Vol. 18, Page e202200632-e202200632, Year 2023
Publish dateJan 12, 2022 (structure data deposition date)
AuthorsWiedemeyer, S.J.A. / Wu, G. / Pham, T.L.P. / Lang-Henkel, H. / Perez Urzua, B. / Whisstock, J.C. / Law, R.H.P. / Steinmetzer, T.
External linksChemmedchem / PubMed:36710259
MethodsX-ray diffraction
Resolution1.57 - 1.8 Å
Structure data

PDB-7ths:
Macrocyclic plasmin inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7uah:
Macrocyclic plasmin inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

Chemicals

ChemComp-I5Y:
(6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-I5Q:
(2S)-butane-1,2-diol

ChemComp-HOH:
WATER

ChemComp-M63:
(6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide

ChemComp-NZ5:
(2~{R})-butane-1,2-diol

Source
  • homo sapiens (human)
KeywordsBLOOD CLOTTING / Hydrolase/Inhibitor / protease / inhibitor / Hydrolase-Inhibitor complex / complex

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