6Q4D

CDK2 in complex with FragLite31

Summary for 6Q4D

Entry DOI	10.2210/pdb6q4d/pdb
Descriptor	Cyclin-dependent kinase 2, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid (3 entities in total)
Functional Keywords	fragment, fraglite, cdk2, inhibitor, cell cycle
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	36231.77
Authors	Wood, D.J.,Martin, M.P.,Noble, M.E.M. (deposition date: 2018-12-05, release date: 2019-03-20, Last modification date: 2024-01-24)
Primary citation	Wood, D.J.,Lopez-Fernandez, J.D.,Knight, L.E.,Al-Khawaldeh, I.,Gai, C.,Lin, S.,Martin, M.P.,Miller, D.C.,Cano, C.,Endicott, J.A.,Hardcastle, I.R.,Noble, M.E.M.,Waring, M.J. FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62:3741-3752, 2019 Cited by PubMed: 30860382 DOI: 10.1021/acs.jmedchem.9b00304 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.07 Å)

Structure validation