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Structure paper

TitleHalogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Journal, issue, pagesRsc Adv, Vol. 8, Page 28189-28197, Year 2018
Publish dateSep 6, 2017 (structure data deposition date)
AuthorsJiang, L.G. / Zhang, X. / Zhou, Y. / Chen, Y.Y. / Luo, Z.P. / Li, J.Y. / Yuan, C. / Huang, M.D.
External linksRsc Adv / Search PubMed
MethodsX-ray diffraction
Resolution1.18 - 2 Å
Structure data

PDB-5yc6:
The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6
Method: X-RAY DIFFRACTION / Resolution: 1.18 Å

PDB-5yc7:
The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH7.4
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5z1c:
The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-PZH:
1-(4-BROMOPHENYL)METHANAMINE

ChemComp-SO4:
SULFATE ION

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

ChemComp-ZXI:
1-(4-iodophenyl)methanamine

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / halogen bonding / serine protease / uPA / P1 group / protease inhibitors / HYDROLASE-HYDROLASE INHIBITOR complex / HYDROLASE / protease inhibitor

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