3FPM

Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2

Summary for 3FPM

Entry DOI	10.2210/pdb3fpm/pdb
Related	1nxk 1ny3
Descriptor	MAP kinase-activated protein kinase 2, 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione (2 entities in total)
Functional Keywords	atp-binding, alternative splicing, kinase, nucleotide-binding, phosphoprotein, polymorphism, serine/threonine-protein kinase, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	37945.85
Authors	Parris, K.D. (deposition date: 2009-01-05, release date: 2009-04-07, Last modification date: 2023-09-06)
Primary citation	Lovering, F.,Kirincich, S.,Wang, W.,Combs, K.,Resnick, L.,Sabalski, J.E.,Butera, J.,Liu, J.,Parris, K.,Telliez, J.B. Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2) Bioorg.Med.Chem., 17:3342-3351, 2009 Cited by PubMed Abstract: A novel series of inhibitors for mitogen activated protein kinase-activated protein kinase 2 (MK-2) are reported. These squarate based inhibitors were identified via a high-throughput screen. An MK2 co-structure with the starting ligand was obtained and a structure based approach was followed to optimize potency and selectivity. PubMed: 19364658 DOI: 10.1016/j.bmc.2009.03.041 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.3 Å)

Structure validation