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5DAF
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BU of 5daf by Molmil
Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64063
Descriptor: (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile, Kelch-like ECH-associated protein 1
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.
Deposit date:2015-08-19
Release date:2016-08-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
5DAD
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BU of 5dad by Molmil
Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64014
Descriptor: (6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile, Kelch-like ECH-associated protein 1
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.
Deposit date:2015-08-19
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016

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數據於2024-11-06公開中

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