5HU9

Crystal structure of ABL1 in complex with CHMFL-074

Summary for 5HU9

• Entry DOI: 10.2210/pdb5hu9/pdb
• Descriptor: Tyrosine-protein kinase ABL1, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: abl, bcr-abl, chmfl-074, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm, cytoskeleton. Isoform IB: Nucleus membrane; Lipid-anchor: P00519
• Total number of polymer chains: 1
• Total formula weight: 33954.19

Authors

Kong, L.L.,Yun, C.H. (deposition date: 2016-01-27, release date: 2016-07-13, Last modification date: 2023-11-08)

• Primary citation: Liu, F.,Wang, B.,Wang, Q.,Qi, Z.,Chen, C.,Kong, L.L.,Chen, J.Y.,Liu, X.,Wang, A.,Hu, C.,Wang, W.,Wang, H.,Wu, F.,Ruan, Y.,Qi, S.,Liu, J.,Zou, F.,Hu, Z.,Wang, W.,Wang, L.,Zhang, S.,Yun, C.H.,Zhai, Z.,Liu, J.,Liu, Q.; Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML); Oncotarget, 7:45562-45574, 2016; PubMed: 27322145; DOI: 10.18632/oncotarget.10037

Experimental method

X-RAY DIFFRACTION (1.529 Å)