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Highlights? Structural features of 2OG oxygenases involved in substrate recognition are analyzed. ? Crystallographic studies reveal the versatility of the jelly roll fold in substrate binding. ? Defined structural regions that interact with substrate(s) are biased by fold topology. ? The utility of the enzyme–substrate structures for engineering and selective inhibition are discussed.  相似文献   

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Highlights? Fast motion interconverts states with significant conformational entropy. ? Fast internal motion can be characterized in a site resolved way using solution NMR relaxation phenomena. ? Internal protein motion can be used as a proxy for conformational entropy. ? Conformational entropy can contribute significantly to ligand binding by proteins.  相似文献   

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Highlights? CCT subunit types can be identified in crystallographic data, even at low resolutions ? Actin and tubulin both bind around CCT6 ? ATP hydrolysis and substrate binding are partitioned in the CCT particle  相似文献   

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Highlights? VLRBs use their C-terminal LRRs and the LRRCT-loop to interact with antigen ? Sequence-related VLRBs exhibit differential recognition of their BclA epitopes ? VLR4 binds a conserved protein epitope, yet is specific for B. anthracis spores  相似文献   

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Highlights? ARTD8 macrodomains read ARTD10-dependent mono-ADP-ribosylation ? The structure of ARTD8 macrodomains reveals a conserved fold for ADP-ribose binding ? Distinct macrodomains read mono- and poly-ADP-ribosylation selectively ? ARTD8 macrodomains can be used to visualize mono-ADP-ribosylation in cells  相似文献   

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Highlights? A protein-ligand binding method combining structure and evolutionary insights ? Large-scale test and validation on both benchmark and blind experiments ? Comprehensive and deep analysis on what works and what does not ? Ligand binding prediction with accuracy higher than the state-of-the-art methods  相似文献   

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Highlights? Inverse ligand binding prediction is implemented with modern binding site predictors ? Use of just one protein-ligand complex allows accurate identification of other protein targets ? Inverse prediction is effective in finding structurally distant protein targets ? Consensus approach provides improvements  相似文献   

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Highlights? Snx3 is highly expressed in vertebrate hematopoietic tissues ? Silencing of Snx3 results in anemia and hemoglobin defects in vertebrates ? Snx3 and Vps35 physically interact with Tfrc ? Snx3 is required for endosomal recycling of Tf-Tfrc complex  相似文献   

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Highlights? Dyn2 promotes lamellipodia formation and pancreatic tumor cell migration ? Direct binding between Dyn2 and Vav1 promotes Rac1 activation and migration ? Dyn2 binding protects Vav1 from degradation by the lysosome ? Vav1 is targeted for degradation through an interaction with Hsc70  相似文献   

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Highlights? The AF9 AHD is intrinsically disordered ? The AHD recruits AF4, BCoR, Dot1L, and hPC3 by coupled folding and binding ? AF9 binding partners compete for binding to a common site ? Dynamics of the AF4-AF9 complex may facilitate exchange between partners  相似文献   

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Highlights? A short-lived population of kinetochore-derived microtubules (MTs) has distal plus ends ? These MTs are generated in early mitosis and regulated by Stu2 ? They interact with spindle pole-derived MTs before kinetochore attachment ? Once kinetochores attach to spindle-pole MTs, the short-lived MT population disappears  相似文献   

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Highlights? Complexes of MetRS from T. brucei with its substrate, intermediate, and inhibitors ? In crystals, substrate-bound MetRS undergoes extensive changes with inhibitor binding ? The inhibitor-bound conformation is surprisingly similar to the ligand-free state ? This indicates inhibitor binding occurs via conformational selection not by induced fit  相似文献   

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Highlights? Initial nucleotide binding occurs in the open polymerase complex ? Correct and incorrect nucleotides undergo metal-dependent conformational changes ? Watson-Crick base pairing is sampled upon nucleotide binding ? The stabilization of the correct, but not incorrect, nucleotide deters misinsertion  相似文献   

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Highlights? Successful design of phosphorylation sites into a globular protein ? Redesigned PDZ domain phosphorylation is associated with local destabilization ? Phosphorylation switches peptide binding function ? Phosphorylation switches peptide recognition specificity  相似文献   

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Highlights? The N-terminal cap of Toll adopts a new fold ? It resembles a duplicated beta hairpin structure with three disulphide bonds ? Toll LRRNT cap is not critical for Spätzle binding ? The first 13 LRRs are sufficient for Spätzle binding  相似文献   

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Highlights? Capturing 3D spatiotemporal content of expression data increases model utility ? Embryo geometry shapes signaling; prepatterns compensate in misshapen embryos ? Cell-surface binding proteins compensate for weak ligand/inhibitor/receptor binding ? BMP-mediated patterning is “nearly” scale-invariant  相似文献   

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