8J5X

The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide

Summary for 8J5X

Entry DOI	10.2210/pdb8j5x/pdb
Descriptor	High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide (3 entities in total)
Functional Keywords	transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	34667.10
Authors	Zhang, Z.M.,Wang, Y.J. (deposition date: 2023-04-24, release date: 2023-09-20, Last modification date: 2023-10-11)
Primary citation	Wang, Z.,Wang, J.,Wang, Y.,Xiang, S.,Zhou, H.,Song, S.,Song, X.,Tu, Z.,Zhou, Y.,Ding, K.,Zhang, Z.M.,Zhang, Z.,Lu, X. Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66:12950-12965, 2023 Cited by PubMed: 37676745 DOI: 10.1021/acs.jmedchem.3c00899 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.09192247704 Å)

Structure validation