4G31

Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution

Summary for 4G31

• Entry DOI: 10.2210/pdb4g31/pdb
• Related: 3QD2 4G34
• Descriptor: Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, ... (4 entities in total)
• Functional Keywords: deletion mutant, catalytic domain, synthetic inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Endoplasmic reticulum membrane; Single-pass type I membrane protein: Q9NZJ5
• Total number of polymer chains: 1
• Total formula weight: 35340.75

Authors

Gampe, R.T.,Axten, J.M. (deposition date: 2012-07-13, release date: 2012-08-08, Last modification date: 2024-02-28)

• Primary citation: Axten, J.M.,Medina, J.R.,Feng, Y.,Shu, A.,Romeril, S.P.,Grant, S.W.,Li, W.H.,Heerding, D.A.,Minthorn, E.,Mencken, T.,Atkins, C.,Liu, Q.,Rabindran, S.,Kumar, R.,Hong, X.,Goetz, A.,Stanley, T.,Taylor, J.D.,Sigethy, S.D.,Tomberlin, G.H.,Hassell, A.M.,Kahler, K.M.,Shewchuk, L.M.,Gampe, R.T.; Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).; J.Med.Chem., 55:7193-7207, 2012; PubMed: 22827572; DOI: 10.1021/jm300713s

Experimental method

X-RAY DIFFRACTION (2.28 Å)