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TitleStructure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 185-190, Year 2017
Publish dateOct 5, 2016 (structure data deposition date)
AuthorsLi, Z. / Partridge, J. / Silva-Garcia, A. / Rademacher, P. / Betz, A. / Xu, Q. / Sham, H. / Hu, Y. / Shan, Y. / Liu, B. ...Li, Z. / Partridge, J. / Silva-Garcia, A. / Rademacher, P. / Betz, A. / Xu, Q. / Sham, H. / Hu, Y. / Shan, Y. / Liu, B. / Zhang, Y. / Shi, H. / Ma, X. / Zhang, L.
External linksACS Med Chem Lett / PubMed:28197309
MethodsX-ray diffraction
Resolution1.408 Å
Structure data

PDB-5tjx:
Structure of human plasma kallikrein
Method: X-RAY DIFFRACTION / Resolution: 1.408 Å

Chemicals

ChemComp-GBT:
(8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase Inhibitor / plasma kallikrein / protease / serine / inhibitor / Hydrolase-Hydrolase Inhibitor complex

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