4X7H

Co-crystal Structure of PERK bound to N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide inhibitor

Summary for 4X7H

• Entry DOI: 10.2210/pdb4x7h/pdb
• Related: 4X7J 4X7K 4X7L 4X7N 4X7O
• Descriptor: Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: catalytic domain, transferase-transferase inhibitor, complex, 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: 37583.07

Authors

Shaffer, P.L.,Bellon, S.F.,Long, A.M.,Chen, H. (deposition date: 2014-12-09, release date: 2015-02-04, Last modification date: 2023-09-27)

• Primary citation: Smith, A.L.,Andrews, K.L.,Beckmann, H.,Bellon, S.F.,Beltran, P.J.,Booker, S.,Chen, H.,Chung, Y.A.,D'Angelo, N.D.,Dao, J.,Dellamaggiore, K.R.,Jaeckel, P.,Kendall, R.,Labitzke, K.,Long, A.M.,Materna-Reichelt, S.,Mitchell, P.,Norman, M.H.,Powers, D.,Rose, M.,Shaffer, P.L.,Wu, M.M.,Lipford, J.R.; Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).; J.Med.Chem., 58:1426-1441, 2015; PubMed: 25587754; DOI: 10.1021/jm5017494

Experimental method

X-RAY DIFFRACTION (2 Å)