3M2W

Crystal structure of MAPKAK kinase 2 (MK2) complexed with a spiroazetidine-tetracyclic ATP site inhibitor

Summary for 3M2W

Entry DOI	10.2210/pdb3m2w/pdb
Related	3KGA
Descriptor	MAP kinase-activated protein kinase 2, 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one, MAGNESIUM ION, ... (4 entities in total)
Functional Keywords	small molecule inhibitor, spiroazetidine-tetracycle, atp-site kinase inhibitor, novartis compound nvp-bxs169, atp-binding, kinase, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	34976.78
Authors	Kroemer, M.,Revesz, L.,Be, C.,Izaac, A.,Huppertz, C.,Schlapbach, A.,Scheufler, C. (deposition date: 2010-03-08, release date: 2010-07-28, Last modification date: 2024-02-21)
Primary citation	Revesz, L.,Schlapbach, A.,Aichholz, R.,Dawson, J.,Feifel, R.,Hawtin, S.,Littlewood-Evans, A.,Koch, G.,Kroemer, M.,Mobitz, H.,Scheufler, C.,Velcicky, J.,Huppertz, C. In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part II. Bioorg.Med.Chem.Lett., 20:4719-4723, 2010 Cited by PubMed: 20591669 DOI: 10.1016/j.bmcl.2010.04.023 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.41 Å)

Structure validation