8R42

Structure of CHI3L1 in complex with inhibititor 2

Summary for 8R42

Entry DOI	10.2210/pdb8r42/pdb
Descriptor	Chitinase-3-like protein 1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine, ... (7 entities in total)
Functional Keywords	chitinase-3-like-1, complex protein-inhibitor, hydrolase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	87661.52
Authors	Nowak, E.,Napiorkowska-Gromadzka, A.,Nowotny, M. (deposition date: 2023-11-10, release date: 2024-03-13, Last modification date: 2024-03-27)
Primary citation	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. Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1. J.Med.Chem., 67:3959-3985, 2024 Cited by PubMed: 38427954 DOI: 10.1021/acs.jmedchem.3c02255 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.32 Å)

Structure validation