7NZN

Structure of RET kinase domain bound to inhibitor JB-48

Summary for 7NZN

• Entry DOI: 10.2210/pdb7nzn/pdb
• Descriptor: Proto-oncogene tyrosine-protein kinase receptor Ret, 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide, FORMIC ACID, ... (4 entities in total)
• Functional Keywords: kinase, inhibitor, cancer, receptor tyrosine kinase, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 36560.89

Authors

Briggs, D.C.,McDonald, N.Q. (deposition date: 2021-03-24, release date: 2022-02-09, Last modification date: 2024-01-31)

• Primary citation: Zhang, L.,Moccia, M.,Briggs, D.C.,Bharate, J.B.,Lakkaniga, N.R.,Knowles, P.,Yan, W.,Tran, P.,Kharbanda, A.,Wang, X.,Leung, Y.K.,Frett, B.,Santoro, M.,McDonald, N.Q.,Carlomagno, F.,Li, H.Y.; Discovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose.; J.Med.Chem., 65:1536-1551, 2022; PubMed: 35081714; DOI: 10.1021/acs.jmedchem.1c01280

Experimental method

X-RAY DIFFRACTION (2.39 Å)