6JJR

Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14

6JJR の概要

• エントリーDOI: 10.2210/pdb6jjr/pdb
• 分子名称: Chitotriosidase-1, 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide (3 entities in total)
• 機能のキーワード: chitinase, complex, chitotriosidase, hydrolase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43120.25

構造登録者

Jiang, X.,Yang, Q. (登録日: 2019-02-26, 公開日: 2020-02-19, 最終更新日: 2023-11-22)

• 主引用文献: Jiang, X.,Kumar, A.,Motomura, Y.,Liu, T.,Zhou, Y.,Moro, K.,Zhang, K.Y.J.,Yang, Q.; A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.; J.Med.Chem., 63:987-1001, 2020; PubMed: 31928006; DOI: 10.1021/acs.jmedchem.9b01154

実験手法

X-RAY DIFFRACTION (1.834 Å)