5K0X

Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541

Summary for 5K0X

• Entry DOI: 10.2210/pdb5k0x/pdb
• Related: 5K0K
• Descriptor: Tyrosine-protein kinase Mer, CHLORIDE ION, (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, ... (4 entities in total)
• Functional Keywords: macrocyclic, drug design, fibrinolytic agents, 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)
• Cellular location: Membrane ; Single-pass type I membrane protein : Q12866
• Total number of polymer chains: 2
• Total formula weight: 72899.28

Authors

McIver, A.L.,Zhang, W.,Liu, Q.,Jiang, X.,Stashko, M.A.,Nichols, J.,Miley, M.J.,Norris-Drouin, J.,Machius, M.,DeRyckere, D.,Wood, E.,Graham, D.K.,Earp, H.S.,Kireev, D.,Frye, S.V.,Wang, X. (deposition date: 2016-05-17, release date: 2017-02-22, Last modification date: 2023-09-27)

• Primary citation: McIver, A.L.,Zhang, W.,Liu, Q.,Jiang, X.,Stashko, M.A.,Nichols, J.,Miley, M.J.,Norris-Drouin, J.,Machius, M.,DeRyckere, D.,Wood, E.,Graham, D.K.,Earp, H.S.,Kireev, D.,Frye, S.V.,Wang, X.; Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors.; ChemMedChem, 12:207-213, 2017; PubMed: 28032464; DOI: 10.1002/cmdc.201600589

Experimental method

X-RAY DIFFRACTION (2.231 Å)