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Structure paper

TitleDiscovery of novel Chitinase Inhibitors with a scaffold of dipyridopyrimidine-3-carboxamide via Structure-based Rational Design
Journal, issue, pagesTo Be Published
Publish dateJun 4, 2020 (structure data deposition date)
AuthorsYuan, P.T. / Jiang, X.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.98 - 2.32 Å
Structure data

PDB-7c92:
Structure of Serratia marcescens chitinase B complexed with compound 6k
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

PDB-7cb1:
Structure of Serratia marcescens chitinase B complexed with compound 6q
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

Chemicals

ChemComp-FXR:
6-azanyl-11-methyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-FO0:
6-azanyl-11-methyl-2-oxidanylidene-N-[(1S)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

Source
  • serratia marcescens (bacteria)
KeywordsHYDROLASE / chitinase / Serratia marcescens

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