7PUS

ERK5 in complex with Pyrrole Carboxamide scaffold

This is a non-PDB format compatible entry.

Summary for 7PUS

• Entry DOI: 10.2210/pdb7pus/pdb
• Related: 5O7I
• Descriptor: Mitogen-activated protein kinase 7, 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide (3 entities in total)
• Functional Keywords: kinase, inhibitor, pyrrole, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 41438.42

Authors

Tucker, J.A.,Martin, M.P.,Endicott, J.A.,Noble, M.E.N. (deposition date: 2021-09-30, release date: 2022-05-11, Last modification date: 2024-01-31)

• Primary citation: Miller, D.C.,Reuillon, T.,Molyneux, L.,Blackburn, T.,Cook, S.J.,Edwards, N.,Endicott, J.A.,Golding, B.T.,Griffin, R.J.,Hardcastle, I.,Harnor, S.J.,Heptinstall, A.,Lochhead, P.,Martin, M.P.,Martin, N.C.,Myers, S.,Newell, D.R.,Noble, R.A.,Phillips, N.,Rigoreau, L.,Thomas, H.,Tucker, J.A.,Wang, L.Z.,Waring, M.J.,Wong, A.C.,Wedge, S.R.,Noble, M.E.M.,Cano, C.; Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor.; J.Med.Chem., 65:6513-6540, 2022; PubMed: 35468293; DOI: 10.1021/acs.jmedchem.1c01756

Experimental method

X-RAY DIFFRACTION (2.59 Å)