6XIH

Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile

Summary for 6XIH

Entry DOI	10.2210/pdb6xih/pdb
Related	5UP3
Descriptor	Mitogen-activated protein kinase kinase kinase 5, (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide (3 entities in total)
Functional Keywords	transferase, metal-binding, apoptosis, serine/threonine kinase, metal binding protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	67242.81
Authors	Dougan, D.R. (deposition date: 2020-06-19, release date: 2020-08-12, Last modification date: 2023-10-18)
Primary citation	Bigi-Botterill, S.V.,Ivetac, A.,Bradshaw, E.L.,Cole, D.,Dougan, D.R.,Ermolieff, J.,Halkowycz, P.,Johnson, B.,McBride, C.,Pickens, J.,Sabat, M.,Swann, S. Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3character and an exquisite selectivity profile. Bioorg.Med.Chem.Lett., 30:127405-127405, 2020 Cited by PubMed: 32738982 DOI: 10.1016/j.bmcl.2020.127405 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.65 Å)

Structure validation