6VRE

Structure of ASK1 bound to BIO-1772961

Summary for 6VRE

• Entry DOI: 10.2210/pdb6vre/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase 5, DIMETHYL SULFOXIDE, 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, ... (4 entities in total)
• Functional Keywords: ask1, kinase domain, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 66415.67

Authors

Chodaparambil, J.V.,Marcotte, D.J. (deposition date: 2020-02-07, release date: 2020-05-06, Last modification date: 2023-10-11)

• Primary citation: Xin, Z.,Himmelbauer, M.K.,Jones, J.H.,Enyedy, I.,Gilfillan, R.,Hesson, T.,King, K.,Marcotte, D.J.,Murugan, P.,Santoro, J.C.,Gonzalez-Lopez de Turiso, F.; Discovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors.; Acs Med.Chem.Lett., 11:485-490, 2020; PubMed: 32292554; DOI: 10.1021/acsmedchemlett.9b00611

Experimental method

X-RAY DIFFRACTION (2.29 Å)