6MEP

Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC3437

Summary for 6MEP

• Entry DOI: 10.2210/pdb6mep/pdb
• Descriptor: Tyrosine-protein kinase Mer, CHLORIDE ION, cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol, ... (5 entities in total)
• Functional Keywords: macrocyclic, drug design, fibrinolytic agents, humans, models, molecular, protein kinase inhibitors, proto-oncogene proteins, pyrimidines, receptor protein-tyrosine kinases, structure-activity relationship, thrombosis, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 73272.02

Authors

Da, C.,Zhang, D.,Stashko, M.A.,Cheng, A.,Hunter, D.,Norris-Drouin, J.,Graves, L.,Machius, M.,Miley, M.J.,DeRyckere, D.,Earp, H.S.,Graham, D.K.,Frye, S.V.,Wang, X.,Kireev, D. (deposition date: 2018-09-06, release date: 2019-09-11, Last modification date: 2024-03-13)

• Primary citation: Da, C.,Zhang, D.,Stashko, M.,Vasileiadi, E.,Parker, R.E.,Minson, K.A.,Huey, M.G.,Huelse, J.M.,Hunter, D.,Gilbert, T.S.K.,Norris-Drouin, J.,Miley, M.,Herring, L.E.,Graves, L.M.,DeRyckere, D.,Earp, H.S.,Graham, D.K.,Frye, S.V.,Wang, X.,Kireev, D.; Data-Driven Construction of Antitumor Agents with Controlled Polypharmacology.; J.Am.Chem.Soc., 141:15700-15709, 2019; PubMed: 31497954; DOI: 10.1021/jacs.9b08660

Experimental method

X-RAY DIFFRACTION (2.893 Å)