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Structure paper

TitleNovel, Self-Assembling Dimeric Inhibitors of Human beta Tryptase.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 3004-3027, Year 2020
Publish dateMay 17, 2019 (structure data deposition date)
AuthorsGiardina, S.F. / Werner, D.S. / Pingle, M. / Feinberg, P.B. / Foreman, K.W. / Bergstrom, D.E. / Arnold, L.D. / Barany, F.
External linksJ. Med. Chem. / PubMed:32057241
MethodsX-ray diffraction
Resolution2.55 Å
Structure data

PDB-6p0p:
Human beta-tryptase co-crystal structure with 5-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-2-(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-[1,1'-biphenyl]-3-yl)-2-hydroxy-2H-1,3,2-benzodioxaborol-2-uide
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-Y35:
(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)

ChemComp-SO4:
SULFATE ION

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordshydrolase/hydrolase inhibitor / Tryptase / bivalent inhibitor / protease inhibitor / HYDROLASE / hydrolase-hydrolase inhibitor complex

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