6ZE8

Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01

Summary for 6ZE8

• Entry DOI: 10.2210/pdb6ze8/pdb
• Descriptor: Chitotriosidase-1, 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine, SODIUM ION, ... (5 entities in total)
• Functional Keywords: chitinase, chitin binding, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 6
• Total formula weight: 247283.66

Authors

Nowotny, M.,Bartlomiejczak, A.,Napiorkowska-Gromadzka, A. (deposition date: 2020-06-16, release date: 2020-11-11, Last modification date: 2024-01-24)

• Primary citation: Koralewski, R.,Dymek, B.,Mazur, M.,Sklepkiewicz, P.,Olejniczak, S.,Czestkowski, W.,Matyszewski, K.,Andryianau, G.,Niedziejko, P.,Kowalski, M.,Gruza, M.,Borek, B.,Jedrzejczak, K.,Bartoszewicz, A.,Pluta, E.,Rymaszewska, A.,Kania, M.,Rejczak, T.,Piasecka, S.,Mlacki, M.,Mazurkiewicz, M.,Piotrowicz, M.,Salamon, M.,Zagozdzon, A.,Napiorkowska-Gromadzka, A.,Bartlomiejczak, A.,Mozga, W.,Dobrzanski, P.,Dzwonek, K.,Golab, J.,Nowotny, M.,Olczak, J.,Golebiowski, A.; Discovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis.; J.Med.Chem., 63:15527-15540, 2020; PubMed: 33078933; DOI: 10.1021/acs.jmedchem.0c01179

Experimental method

X-RAY DIFFRACTION (1.5 Å)