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3IPH

Crystal structure of p38 in complex with a biphenylamide inhibitor

Summary for 3IPH
Entry DOI10.2210/pdb3iph/pdb
Related2ZAZ 2ZB0 2ZB1 3D7Z 3D83
DescriptorMitogen-activated protein kinase 14, 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, SULFATE ION, ... (5 entities in total)
Functional Keywordsp38, serine/threonine protein kinase, map kinase, atp-binding, kinase, nucleotide-binding, nucleus, phosphoprotein, serine/threonine-protein kinase, transferase
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm : Q16539
Total number of polymer chains1
Total formula weight42373.25
Authors
Somers, D.O. (deposition date: 2009-08-17, release date: 2009-11-24, Last modification date: 2024-10-30)
Primary citationAston, N.M.,Bamborough, P.,Buckton, J.B.,Edwards, C.D.,Holmes, D.S.,Jones, K.L.,Patel, V.K.,Smee, P.A.,Somers, D.O.,Vitulli, G.,Walker, A.L.
p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression.
J.Med.Chem., 52:6257-6269, 2009
Cited by
PubMed Abstract: p38alpha MAP kinase is a key anti-inflammatory target for rheumatoid arthritis, influencing biosynthesis of pro-inflammatory cytokines TNFalpha and IL-1beta at a translational and transcriptional level. In this paper, we describe how we have optimized a series of novel p38alpha/beta inhibitors using crystal structures of our inhibitors bound to p38alpha, classical medicinal chemistry, and modeling of virtual libraries to derive a molecule suitable for progression into clinical development.
PubMed: 19772287
DOI: 10.1021/jm9004779
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.1 Å)
Structure validation

239149

數據於2025-07-23公開中

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