3M42

Crystal structure of MAPKAP kinase 2 (MK2) complexed with a tetracyclic ATP site inhibitor

Summary for 3M42

• Entry DOI: 10.2210/pdb3m42/pdb
• Related: 3KGA 3M2W
• Descriptor: MAP kinase-activated protein kinase 2, MAGNESIUM ION, 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one, ... (4 entities in total)
• Functional Keywords: small molecule inhibitor, atp-site kinase inhibitor, novartis-product nvp-bma086, 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: 34976.77

Authors

Scheufler, C.,Revesz, L.,Be, C.,Izaac, A.,Huppertz, C.,Schlapbach, A.,Kroemer, M. (deposition date: 2010-03-10, release date: 2011-03-23, Last modification date: 2024-02-21)

• Primary citation: Revesz, L.,Schlapbach, A.,Aichholz, R.,Feifel, R.,Hawtin, S.,Heng, R.,Hiestand, P.,Jahnke, W.,Koch, G.,Moebitz, H.,Scheufler, C.,Velcicky, J.,Huppertz, C.; Novel pyrrolo[2,3-f]isoquinoline based MAPKAP-K2 (MK2) inhibitors with potent in vitro and in vivo activity; To be Published,

Experimental method

X-RAY DIFFRACTION (2.68 Å)