3I60

Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide

Summary for 3I60

• Entry DOI: 10.2210/pdb3i60/pdb
• Related: 3I5Z
• Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, ... (4 entities in total)
• Functional Keywords: kinase, inhibitor, atp-binding, cell cycle, host-virus interaction, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm, cytoskeleton, spindle : P28482
• Total number of polymer chains: 1
• Total formula weight: 44352.11

Authors

Jacobs, M.D.,Xie, X. (deposition date: 2009-07-06, release date: 2010-01-12, Last modification date: 2024-04-03)

• Primary citation: Aronov, A.M.,Tang, Q.,Martinez-Botella, G.,Bemis, G.W.,Cao, J.,Chen, G.,Ewing, N.P.,Ford, P.J.,Germann, U.A.,Green, J.,Hale, M.R.,Jacobs, M.,Janetka, J.W.,Maltais, F.,Markland, W.,Namchuk, M.N.,Nanthakumar, S.,Poondru, S.,Straub, J.,ter Haar, E.,Xie, X.; Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.; J.Med.Chem., 52:6362-6368, 2009; PubMed: 19827834; DOI: 10.1021/jm900630q

Experimental method

X-RAY DIFFRACTION (2.5 Å)