7AAY

Crystal structure of MerTK kinase domain in complex with Merestinib

Summary for 7AAY

Entry DOI	10.2210/pdb7aay/pdb
Related	7AAX
Descriptor	Tyrosine-protein kinase Mer, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, CHLORIDE ION, ... (4 entities in total)
Functional Keywords	tyrosine kinase inhibitor, structure-based drug design, type 2 inhibitor, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	34495.11
Authors	Schimpl, M.,Pflug, A.,McCoull, W.,Nissink, J.W.M.,Overman, R.C.,Rawlins, P.B.,Truman, C.,Underwood, E.,Warwicker, J.,Winter-Holt, J. (deposition date: 2020-09-05, release date: 2020-10-28, Last modification date: 2024-01-31)
Primary citation	Pflug, A.,Schimpl, M.,Nissink, J.W.M.,Overman, R.C.,Rawlins, P.B.,Truman, C.,Underwood, E.,Warwicker, J.,Winter-Holt, J.,McCoull, W. A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477:4443-4452, 2020 Cited by PubMed: 33119085 DOI: 10.1042/BCJ20200735 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.87 Å)

Structure validation