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TitleStructure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 3959-3985, Year 2024
Publish dateNov 10, 2023 (structure data deposition date)
AuthorsCzestkowski, W. / Krzeminski, L. / Piotrowicz, M.C. / Mazur, M. / Pluta, E. / Andryianau, G. / Koralewski, R. / Matyszewski, K. / Olejniczak, S. / Kowalski, M. ...Czestkowski, W. / Krzeminski, L. / Piotrowicz, M.C. / Mazur, M. / Pluta, E. / Andryianau, G. / Koralewski, R. / Matyszewski, K. / Olejniczak, S. / Kowalski, M. / Lisiecka, K. / Koziel, R. / Piwowar, K. / Papiernik, D. / Nowotny, M. / Napiorkowska-Gromadzka, A. / Nowak, E. / Niedzialek, D. / Wieczorek, G. / Siwinska, A. / Rejczak, T. / Jedrzejczak, K. / Mulewski, K. / Olczak, J. / Zaslona, Z. / Golebiowski, A. / Drzewicka, K. / Bartoszewicz, A.
External linksJ. Med. Chem. / PubMed:38427954
MethodsX-ray diffraction
Resolution1.54 - 2.32 Å
Structure data

PDB-8r41:
Structure of CHI3L1 in complex with inhibitor 1
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-8r42:
Structure of CHI3L1 in complex with inhibititor 2
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

PDB-8r4x:
Structure of Chitinase-3-like protein 1 in complex with inhibitor 30
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

Chemicals


ChemComp, No image

ChemComp-XUF:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-BR:
BROMIDE ION

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-XUC:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry


ChemComp, No image

ChemComp-XZ0:
Unknown entry

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Chitinase-3-like-1 / inhibitors / complex protein-inhibitor / protein-inhibitor complex

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