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A Comprehensive Structural Overview of p38α Mitogen‐Activated Protein Kinase in Complex with ATP‐Site and Non‐ATP‐Site Binders
Author(s) -
Astolfi Andrea,
Manfroni Giuseppe,
Cecchetti Violetta,
Barreca Maria Letizia
Publication year - 2018
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.201700636
Subject(s) - protein data bank (rcsb pdb) , protein kinase a , binding site , protein data bank , mitogen activated protein kinase , kinase , computational biology , active site , biochemistry , chemistry , structural biology , drug discovery , protein structure , biology , microbiology and biotechnology , enzyme
Herein we review all the currently available ATP‐site and non‐ATP‐site ligands bound to p38α mitogen‐activated protein kinase (MAPK) available in the RCSB Protein Data Bank (PDB). The co‐crystallized inhibitors have been classified into different families according to their experimental binding mode and chemical structure, and the ligand–protein interactions are discussed using the most representative compounds. This systematic structural analysis could provide some take‐home lessons for drug discovery programs aimed at the rational identification and optimization of new p38α MAPK inhibitors.