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5DAD

Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64014

Summary for 5DAD
Entry DOI10.2210/pdb5dad/pdb
Related5DAF
DescriptorKelch-like ECH-associated protein 1, (6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile (3 entities in total)
Functional Keywordskeap1, trascription regulation, btb domain, cysteine modification, c1-(r)-cys151 adduct, transcription
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm: Q14145
Total number of polymer chains1
Total formula weight15894.32
Authors
Huerta, C.,Jiang, X.,Trevino, I.,Bender, C.F.,Swinger, K.K.,Stoll, V.S.,Ferguson, D.A.,Thomas, P.J.,Probst, B.,Dulubova, I.,Visnick, M.,Wigley, W.C. (deposition date: 2015-08-19, release date: 2016-08-10, Last modification date: 2023-09-27)
Primary citationHuerta, C.,Jiang, X.,Trevino, I.,Bender, C.F.,Ferguson, D.A.,Probst, B.,Swinger, K.K.,Stoll, V.S.,Thomas, P.J.,Dulubova, I.,Visnick, M.,Wigley, W.C.
Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860:2537-2552, 2016
Cited by
PubMed: 27474998
DOI: 10.1016/j.bbagen.2016.07.026
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.61 Å)
Structure validation

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