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Structure paper

TitleA Novel, Nonpeptidic, Orally Active Bivalent Inhibitor of Human beta-Tryptase.
Journal, issue, pagesPharmacology, Vol. 102, Page 233-243, Year 2018
Publish dateSep 13, 2013 (structure data deposition date)
AuthorsGiardina, S.F. / Werner, D.S. / Pingle, M. / Bergstrom, D.E. / Arnold, L.D. / Barany, F.
External linksPharmacology / PubMed:30134249
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-4mpw:
Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-ACT:
ACETATE ION

ChemComp-2AJ:
[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / coferon / alpha-hydroxyketone / small molecule inhibitor / drug discovery / self-assembly / crystal catalysis / silanol / HYDROLASE-HYDROLASE INHIBITOR complex

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