6JZ0

Crystal structure of EGFR kinase domain in complex with compound 78

Summary for 6JZ0

• Entry DOI: 10.2210/pdb6jz0/pdb
• Descriptor: Epidermal growth factor receptor, E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide (3 entities in total)
• Functional Keywords: kinase, atp binding site, covalent bonding with ligand, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 37780.70

Authors

Peng, Y.H.,Wu, J.S.,Wu, S.Y. (deposition date: 2019-04-30, release date: 2019-12-04, Last modification date: 2023-11-22)

• Primary citation: Lin, S.Y.,Chang Hsu, Y.,Peng, Y.H.,Ke, Y.Y.,Lin, W.H.,Sun, H.Y.,Shiao, H.Y.,Kuo, F.M.,Chen, P.Y.,Lien, T.W.,Chen, C.H.,Chu, C.Y.,Wang, S.Y.,Yeh, K.C.,Chen, C.P.,Hsu, T.A.,Wu, S.Y.,Yeh, T.K.,Chen, C.T.,Hsieh, H.P.; Discovery of a Furanopyrimidine-Based Epidermal Growth Factor Receptor Inhibitor (DBPR112) as a Clinical Candidate for the Treatment of Non-Small Cell Lung Cancer.; J.Med.Chem., 62:10108-10123, 2019; PubMed: 31560541; DOI: 10.1021/acs.jmedchem.9b00722

Experimental method

X-RAY DIFFRACTION (2.86 Å)