3KGA
Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor
Summary for 3KGA
Entry DOI | 10.2210/pdb3kga/pdb |
Descriptor | MAP kinase-activated protein kinase 2, MAGNESIUM ION, 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, ... (4 entities in total) |
Functional Keywords | small molecule inhibitor, 3-aminopyrazole scaffold, scaffold hoping, atp-site kinase inhibitor, induced fit, novel hydrophobic pocket, activation loop deletion, alternative splicing, atp-binding, kinase, nucleotide-binding, phosphoprotein, polymorphism, serine/threonine-protein kinase, transferase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 35007.83 |
Authors | Kroemer, M.,Velcicky, J.,Izaac, A.,Be, C.,Huppertz, C.,Pflieger, D.,Schlapbach, A.,Scheufler, C. (deposition date: 2009-10-28, release date: 2010-01-26, Last modification date: 2024-02-21) |
Primary citation | Velcicky, J.,Feifel, R.,Hawtin, S.,Heng, R.,Huppertz, C.,Koch, G.,Kroemer, M.,Moebitz, H.,Revesz, L.,Scheufler, C.,Schlapbach, A. Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy. Bioorg.Med.Chem.Lett., 20:1293-1297, 2010 Cited by PubMed: 20060294DOI: 10.1016/j.bmcl.2009.10.138 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.55 Å) |
Structure validation
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