5LMK

Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor

Summary for 5LMK

Entry DOI	10.2210/pdb5lmk/pdb
Descriptor	Cyclin-dependent kinase 2, Cyclin-A2, 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, ... (7 entities in total)
Functional Keywords	cdk2; cyclin a, cell cycle, transferase, inhibitor, complex
Biological source	Homo sapiens (Human) More
Total number of polymer chains	4
Total formula weight	128504.68
Authors	Echalier, A. (deposition date: 2016-08-01, release date: 2017-01-25, Last modification date: 2019-10-16)
Primary citation	Hylsova, M.,Carbain, B.,Fanfrlik, J.,Musilova, L.,Haldar, S.,Kopruluoglu, C.,Ajani, H.,Brahmkshatriya, P.S.,Jorda, R.,Krystof, V.,Hobza, P.,Echalier, A.,Paruch, K.,Lepsik, M. Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines. Eur J Med Chem, 126:1118-1128, 2016 Cited by PubMed: 28039837 DOI: 10.1016/j.ejmech.2016.12.023 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation