Potent and selective bivalent inhibitors of BET bromodomains.

Waring MJ, Chen H, Rabow AA, Walker G, Bobby R, Boiko S, Bradbury RH, Callis R, Clark E, Dale I, Daniels DL, Dulak A, Flavell L, Holdgate G, Jowitt TA, Kikhney A, McAlister M, Méndez J, Ogg D, Patel J, Petteruti P, Robb GR, Robers MB, Saif S, Stratton N, Svergun DI, Wang W, Whittaker D, Wilson DM, Yao Y
Nat Chem Biol 12(12):1097-1104 (2016 Dec)

PMID: 27775716 doi: 10.1038/nchembio.2210

Submitted to SASBDB: 2016 Sep 2 Published in SASBDB: 2016 Oct 26

SASDB86 – apo-BRD4 Sample: Bromodomain-containing protein 4 monomer, 56 kDa Homo sapiens protein Buffer: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride, pH: 7.4 Experiment: SAXS data collected at BM29, ESRF on 2014 Sep 12 RgGuinier 7.0 nm Dmax 27.0 nm

SASDB96 – Compound 1:BRD4 (1:1) Sample: Bromodomain-containing protein 4 monomer, 56 kDa Homo sapiens protein Buffer: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride, pH: 7.4 Experiment: SAXS data collected at BM29, ESRF on 2014 Sep 12 RgGuinier 6.2 nm Dmax 27.5 nm

SASDBA6 – Compound 1:BRD4 (2:1) Sample: Bromodomain-containing protein 4 monomer, 56 kDa Homo sapiens protein Buffer: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride, pH: 7.4 Experiment: SAXS data collected at BM29, ESRF on 2014 Sep 12 RgGuinier 6.3 nm Dmax 24.5 nm

SASDBB6 – Compound 6:BRD4 (1:1) Sample: Bromodomain-containing protein 4 monomer, 56 kDa Homo sapiens protein Buffer: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride, pH: 7.4 Experiment: SAXS data collected at BM29, ESRF on 2015 Feb 8 RgGuinier 5.1 nm Dmax 24.3 nm

SASDBC6 – Compound 6:BRD4 (2:1) Sample: Bromodomain-containing protein 4 monomer, 56 kDa Homo sapiens protein Buffer: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride, pH: 7.4 Experiment: SAXS data collected at BM29, ESRF on 2015 Feb 8 RgGuinier 4.4 nm Dmax 17.3 nm