5EQP

Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37)

Summary for 5EQP

Entry DOI	10.2210/pdb5eqp/pdb
Related	5EQE 5EQY
Descriptor	Choline kinase alpha, 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (3 entities in total)
Functional Keywords	kinase, inhibitor, complex, drug target, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: P35790
Total number of polymer chains	2
Total formula weight	94223.67
Authors	Zhou, T.,Zhu, X.,Dalgarno, D.C. (deposition date: 2015-11-13, release date: 2016-01-06, Last modification date: 2023-09-27)
Primary citation	Zech, S.G.,Kohlmann, A.,Zhou, T.,Li, F.,Squillace, R.M.,Parillon, L.E.,Greenfield, M.T.,Miller, D.P.,Qi, J.,Thomas, R.M.,Wang, Y.,Xu, Y.,Miret, J.J.,Shakespeare, W.C.,Zhu, X.,Dalgarno, D.C. Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59:671-686, 2016 Cited by PubMed: 26700752 DOI: 10.1021/acs.jmedchem.5b01552 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.35 Å)

Structure validation