5UP3

Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure

Summary for 5UP3

• Entry DOI: 10.2210/pdb5up3/pdb
• Related: 5UOR 5UOX
• Descriptor: Mitogen-activated protein kinase kinase kinase 5, 2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one (3 entities in total)
• Functional Keywords: transferase, metal-binding, apoptosis, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q99683
• Total number of polymer chains: 2
• Total formula weight: 61658.52

Authors

Dougan, D.R. (deposition date: 2017-02-01, release date: 2017-06-07, Last modification date: 2024-03-06)

• Primary citation: Lanier, M.,Pickens, J.,Bigi, S.V.,Bradshaw-Pierce, E.L.,Chambers, A.,Cheruvallath, Z.S.,Cole, D.,Dougan, D.R.,Ermolieff, J.,Gibson, T.,Halkowycz, P.,Hirokawa, A.,Ivetac, A.,Miura, J.,Nunez, E.,Sabat, M.,Tyhonas, J.,Wang, H.,Wang, X.,Swann, S.; Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.; ACS Med Chem Lett, 8:316-320, 2017; PubMed: 28337323; DOI: 10.1021/acsmedchemlett.6b00481

Experimental method

X-RAY DIFFRACTION (2.95 Å)