Structural basis of inhibitor selectivity in MAP kinases (original) (raw)
Structure−Activity Relationships of the p38α MAP Kinase Inhibitor 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl]urea (BIRB 796)
Jeffrey Madwed
Journal of Medicinal Chemistry, 2003
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High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand
John Barker
Protein Science, 2009
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The structural basis for the specificity of pyridinylimidazole inhibitors of p38 MAP kinase
Mark Murcko
Chemistry & Biology, 1997
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Structural Basis for a High Affinity Inhibitor Bound to Protein Kinase MK2
Duy Tiến Nguyễn
Journal of Molecular Biology, 2007
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Discovery and characterization of Non-ATP site inhibitors of the mitogen activated protein (MAP) kinases
Gang LIU, Cele Abad-Zapatero
2011
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Assessment of the putative binding conformation of a pyrazolopyridine class of inhibitors of MAPKAPK2 using computational studies
Sreedhara Voleti
European Journal of Medicinal Chemistry, 2010
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Structural biology contributions to tyrosine kinase drug discovery
Sandra Cowan-jacob
Current Opinion in Cell Biology, 2009
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X-ray Crystal Structure of ERK5 (MAPK7) in Complex with a Specific Inhibitor
Jose Lizcano
Journal of Medicinal Chemistry, 2013
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Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38α MAPK inhibitors
Maria Letizia Barreca
Biochemical and Biophysical Research Communications, 2019
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Complex Structure Modeling of p38 MAP Kinase and Pyridyl-pyrrole Compounds
Shuichi Miyamoto
Chem-Bio Informatics Journal, 2001
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Indole-based heterocyclic inhibitors of p38α MAP kinase: designing a conformationally restricted analogue
Sarvajit Chakravarty
Bioorganic & Medicinal Chemistry Letters, 2003
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Computational Insights for the Discovery of Non-ATP Competitive Inhibitors of MAP Kinases
Tamer Kaoud
Current Drug Metabolism, 2012
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Evaluation of the combination mode and features of p38 MAPK inhibitors: construction of different pharmacophore models and molecular docking
liyu zhao
Molecular Simulation, 2019
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Dissection of the Recognition Properties of p38 MAP Kinase. Determination of the Binding Mode of a New Pyridinyl−Heterocycle Inhibitor Family
Modesto Orozco
Journal of Medicinal Chemistry, 2007
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First comprehensive structural and biophysical analysis of MAPK13 inhibitors targeting DFG-in and DFG-out binding modes
Tom Brett
Biochimica et biophysica acta, 2016
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Structural characterization of nonactive site, TrkA-selective kinase inhibitors
Peter Lemaire
Proceedings of the National Academy of Sciences of the United States of America, 2017
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Structural Bioinformatics-Based Prediction of Exceptional Selectivity of p38 MAP Kinase Inhibitor PH-797804
Zara Walden
Biochemistry, 2009
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Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole
Giuseppe Zanotti
Chemistry & biology, 2005
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Structural Insights for Design of Potent Spleen Tyrosine Kinase Inhibitors from Crystallographic Analysis of Three Inhibitor Complexes
Rama Kondru
Chemical Biology & Drug Design, 2009
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Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479
Jodie Pang
Bioorganic & Medicinal Chemistry Letters, 2014
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Structure-based design and protein X-ray analysis of a protein kinase inhibitor
Pascal Furet
Bioorganic & Medicinal Chemistry Letters, 2002
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Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors
Joseph Kim
Structure, 1999
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Crystal Structures of Human Adenosine Kinase Inhibitor Complexes Reveal Two Distinct Binding Modes †
Richard L Smith
J Med Chem, 2006
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Molecular docking and 3D-QSAR studies on the MAPKAP-K2 inhibitors
E. Pourbasheer
Medicinal Chemistry Research, 2014
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Pyrazole Urea-Based Inhibitors of p38 MAP Kinase: From Lead Compound to Clinical Candidate
Jeffrey Madwed
Journal of Medicinal Chemistry, 2002
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Conversion of SB 203580-insensitive MAP kinase family members to drug-sensitive forms by a single amino-acid substitution
N. Morrice
Chemistry & Biology, 1998
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A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase
Ursula Germann, Joyce Coll
Protein Science, 1998
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Discovery and Evaluation of 7-Alkyl-1,5-bis-aryl-pyrazolopyridinones as Highly Potent, Selective, and Orally Efficacious Inhibitors of p38α Mitogen-Activated Protein Kinase ⊥ ⊥ Atomic coordinates and structure factors for crystal structure of compound 3d with p38α can be accessed using PDB code 3LHJ
Helen McBride, Ryan Wurz
Journal of Medicinal Chemistry, 2010
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p38α MAP Kinase C-Terminal Domain Binding Pocket Characterized by Crystallographic and Computational Analyses
Davide Moiani
Journal of Molecular Biology, 2009
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