5K00

MELK in complex with NVS-MELK5

Summary for 5K00

Entry DOI	10.2210/pdb5k00/pdb
Descriptor	Maternal embryonic leucine zipper kinase, 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide (3 entities in total)
Functional Keywords	kinase uba typeii inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cell membrane ; Peripheral membrane protein : Q14680
Total number of polymer chains	1
Total formula weight	39525.73
Authors	Sprague, E.R. (deposition date: 2016-05-17, release date: 2017-03-01, Last modification date: 2024-03-06)
Primary citation	Chen, X.,Giraldes, J.,Sprague, E.R.,Shakya, S.,Chen, Z.,Wang, Y.,Joud, C.,Mathieu, S.,Chen, C.H.,Straub, C.,Duca, J.,Hurov, K.,Yuan, Y.,Shao, W.,Toure, B.B. "Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors. J. Med. Chem., 60:2155-2161, 2017 Cited by PubMed: 28186750 DOI: 10.1021/acs.jmedchem.7b00033 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.77 Å)

Structure validation