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Structure paper

TitlePotent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 2114-2121, Year 2008
Publish dateOct 2, 2007 (structure data deposition date)
AuthorsCostanzo, M.J. / Yabut, S.C. / Zhang, H.-C. / White, K.B. / de Garavilla, L. / Wang, Y. / Minor, L.K. / Tounge, B.A. / Barnakov, A.N. / Lewandowski, F. ...Costanzo, M.J. / Yabut, S.C. / Zhang, H.-C. / White, K.B. / de Garavilla, L. / Wang, Y. / Minor, L.K. / Tounge, B.A. / Barnakov, A.N. / Lewandowski, F. / Milligan, C. / Spurlino, J.C. / Abraham, W.M. / Boswell-Smith, V. / Page, C.P. / Maryanoff, B.E.
External linksBioorg. Med. Chem. Lett. / PubMed:18272363
MethodsX-ray diffraction
Resolution2.059 - 2.5 Å
Structure data

PDB-2za5:
Crystal Structure of human tryptase with potent non-peptide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2zeb:
Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-2zec:
Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
Method: X-RAY DIFFRACTION / Resolution: 2.059 Å

Chemicals

ChemComp-2FF:
(5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone

ChemComp-HOH:
WATER

ChemComp-11M:
1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine

ChemComp-11N:
1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Tryptase / serine protease / tetramer

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