6F06

CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide

6F06 の概要

• エントリーDOI: 10.2210/pdb6f06/pdb
• 関連するPDBエントリー: 6EZP 6EZX
• 分子名称: Cathepsin L1, (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, ZINC ION, ... (5 entities in total)
• 機能のキーワード: protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Lysosome: P07711
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 50384.00

構造登録者

Kuglstatter, A.,Stihle, M. (登録日: 2017-11-17, 公開日: 2018-04-11, 最終更新日: 2018-05-09)

• 主引用文献: Giroud, M.,Dietzel, U.,Anselm, L.,Banner, D.,Kuglstatter, A.,Benz, J.,Blanc, J.B.,Gaufreteau, D.,Liu, H.,Lin, X.,Stich, A.,Kuhn, B.,Schuler, F.,Kaiser, M.,Brun, R.,Schirmeister, T.,Kisker, C.,Diederich, F.,Haap, W.; Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.; J. Med. Chem., 61:3350-3369, 2018; PubMed: 29590750; DOI: 10.1021/acs.jmedchem.7b01869

実験手法

X-RAY DIFFRACTION (2.02 Å)