7MU6

Ask1 bound to compound 28

This is a non-PDB format compatible entry.

Summary for 7MU6

• Entry DOI: 10.2210/pdb7mu6/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase 5, 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide (3 entities in total)
• Functional Keywords: ask1, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 75821.58

Authors

Chodaparambil, J.V.,Marcotte, D.J. (deposition date: 2021-05-14, release date: 2024-07-17)

• Primary citation: Jones, J.H.,Xin, Z.,Himmelbauer, M.,Dechantsreiter, M.,Enyedy, I.,Hedde, J.,Fang, T.,Coomaraswamy, J.,King, K.W.,Murugan, P.,Santoro, J.C.,Hesson, T.,Walther, D.M.,Wei, R.,Zheng, F.,Marcotte, D.J.,Spilker, K.,Kumar, P.R.,Liu, Y.,Gilfillan, R.,Gonzalez-Lopez de Turiso, F.; Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation In Vivo.; J.Med.Chem., 64:15402-15419, 2021; PubMed: 34653340; DOI: 10.1021/acs.jmedchem.1c01458

Experimental method

X-RAY DIFFRACTION (2.165 Å)