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We demonstrate by deletion analysis that the extension contributes to DNA binding, and describe the crystal structure of SimR bound to its operator sequence, revealing that the N-terminal extension binds in the minor groove.
The C-terminal helix, or recognition helix, binds in the major groove and an unstructured N-terminal arm binds in the minor groove.
In this respect we note that Dichaete binds in the minor groove of DNA, perhaps making it more likely to capture indirect interactions.
In keeping with studies of small molecule antagonists of other chemokine receptors, VUF 10085 binds in the minor pocket of CXCR3 as deduced by molecular modelling and experimental validation.
Among these, the ATF-2/c-Jun heterodimer binds the major groove of DNA, and IRF-3 binds in the minor groove of the same DNA base pairs without protein protein interactions.
Computational modeling and DNA binding experiments have shown that the GT dinucleotide, which is common to both the ETS and CRE motifs, is bound by the CREB1 dimer in the major groove, and that GABPα binds in the minor groove, without protein protein interactions between the two proteins (Chatterjee et al. 2011).
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A ligand-observed NMR screen of a thermal-shift-enriched fragment library identified several importin-α binding fragments that appeared to bind in the minor site.
The naturally occurring compounds, netropsin and distamycin, along with their synthetic derivatives, the lexitropsins, bind in the minor groove of duplex DNA.
Crystals were not obtained with DB226 but information from the DB75 and DB244 structures as well as previous NMR results on DB226 indicate that all three compounds bind in the minor groove at the AATT site of the duplex.
In the SRY.B/DNA complex, both HMG boxes bind in the minor groove and contribute to the overall DNA bending by intercalation of bulky hydrophobic residues between base-pairs; the bends reinforce each other, and the basic linker lies partly in the minor groove.
Hydrogen atom abstraction from the C4′-position of nucleotides is common among DNA damaging agents that bind in the minor groove.
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