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[PDF] Top 20 Structural dynamics of the cereblon ligand binding domain.

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Structural dynamics of the cereblon ligand binding domain.

Structural dynamics of the cereblon ligand binding domain.

... substrate binding, it was highly desirable to know the apo state of the thalidomide binding ...in the absence of ligands [10], we tried the following prolonged ... See full document

16

Mapping the structural and dynamical features of kinesin motor domains.

Mapping the structural and dynamical features of kinesin motor domains.

... model of kinesin ...analysis of 114 experimental structures along with the results of conventional and accelerated molecular dynamics simulations that together map the ... See full document

13

Structural analysis of prolyl oligopeptidases using molecular docking and dynamics: insights into conformational changes and ligand binding.

Structural analysis of prolyl oligopeptidases using molecular docking and dynamics: insights into conformational changes and ligand binding.

... on the detail structural analysis of POPs, we suggest that dynamic conformational changes are associated with the ligand binding in plant and animal ...Loosening of ... See full document

17

Inhibition of αIIbβ3 Ligand Binding by an αIIb Peptide that Clasps the Hybrid Domain to the βI Domain of β3.

Inhibition of αIIbβ3 Ligand Binding by an αIIb Peptide that Clasps the Hybrid Domain to the βI Domain of β3.

... Unravelling the molecular mechanisms that regulate platelet integrin αIIbβ3 activation has been the focus of intense ...Initial structural information came from electron micros- copy (EM) ... See full document

17

Escherichia coli Protein Expression System for Acetylcholine Binding Proteins (AChBPs).

Escherichia coli Protein Expression System for Acetylcholine Binding Proteins (AChBPs).

... are ligand gated ion channels, identified as ther- apeutic targets for a range of human ...Many of these structural insights for thera- peutic lead development have been obtained from ... See full document

15

Role of a novel PH-kinase domain interface in PKB/Akt regulation: structural mechanism for allosteric inhibition.

Role of a novel PH-kinase domain interface in PKB/Akt regulation: structural mechanism for allosteric inhibition.

... VIII binding simulation. The starting point was the previously equilibrated model of the PH/KIN complex of human PKBa with the cavity filled with water ...molecules. ... See full document

12

Signal Transduction at the Domain Interface of Prokaryotic Pentameric Ligand-Gated Ion Channels.

Signal Transduction at the Domain Interface of Prokaryotic Pentameric Ligand-Gated Ion Channels.

... activation of a pentameric ligand-gated ion channel (pLGIC), the binding of agonists promotes the opening of a selective ion conduction pore at a distance of more ... See full document

25

Symmetric allosteric mechanism of hexameric Escherichia coli arginine repressor exploits competition between L-arginine ligands and resident arginine residues.

Symmetric allosteric mechanism of hexameric Escherichia coli arginine repressor exploits competition between L-arginine ligands and resident arginine residues.

... mechanism of allostery is described for the Escherichia coli arginine repressor ArgR, the master feedback regulator of transcription in L-arginine ...Molecular dynamics simulations with ... See full document

12

Glucagon-like peptide-1 receptor ligand interactions: structural cross talk between ligands and the extracellular domain.

Glucagon-like peptide-1 receptor ligand interactions: structural cross talk between ligands and the extracellular domain.

... at the N-terminus. While the functional effect of this truncation is well characterized, the structural consequences are not fully ...quantitation of protein amide hydrogen ... See full document

9

Molecular dynamics of CYP2D6 polymorphisms in the absence and presence of a mechanism-based inactivator reveals changes in local flexibility and dominant substrate access channels.

Molecular dynamics of CYP2D6 polymorphisms in the absence and presence of a mechanism-based inactivator reveals changes in local flexibility and dominant substrate access channels.

... metabolism of many endogenous and exogenous small ...,15% of CYP-mediated drug metabolism and exhibits large phenotypic diversity within CYPs with over 100 different allelic ...Many of these variants ... See full document

12

Structural analyses of the Slm1-PH domain demonstrate ligand binding in the non-canonical site.

Structural analyses of the Slm1-PH domain demonstrate ligand binding in the non-canonical site.

... encompasses the Arg477, Lys480 and Lys483 residues that point towards the canonical binding site and are important for the recruitment of Slm1 to biological membranes in vivo ...to ... See full document

10

Insights into the N-Sulfation Mechanism: Molecular Dynamics Simulations of the N-Sulfotransferase Domain of Ndst1 and Mutants

Insights into the N-Sulfation Mechanism: Molecular Dynamics Simulations of the N-Sulfotransferase Domain of Ndst1 and Mutants

... for the NST/PAPS/a-GlcN- (1R4)-GlcA and NST/PAP/a-GlcNS-(1R4)-GlcA complexes along the first eigenvector also points to the relevance of the motions for glycan ...between the ... See full document

12

Ligand photo-isomerization triggers conformational changes in iGluR2 ligand binding domain.

Ligand photo-isomerization triggers conformational changes in iGluR2 ligand binding domain.

... simulates the ligand photo-reaction and the following slow protein response can then be monitored in MD ...principle, the full photo-reaction could be simulated using appropriate QM/MM models, ... See full document

10

The application of optical measurements for the determination of accuracy of gear wheels casts manufactured in the RT/RP process

The application of optical measurements for the determination of accuracy of gear wheels casts manufactured in the RT/RP process

... taking the measurements, an anti-reflection coating was applied on the tested gear ...wheel. The thickness of the coating ranged from 0,8 µm do 1,2 ...µm. The measurements were ... See full document

4

Braz. J. Phys.  vol.34 número1

Braz. J. Phys. vol.34 número1

... All the results were obtained from molecular simulation us- ing the molecular dynamics ...method[53]-[55]. The simu- lated systems consist of the solute molecule(s) immersed in ... See full document

14

Selection of the temperature of casting the bronzes to plaster moulds

Selection of the temperature of casting the bronzes to plaster moulds

... from the temperature of casting the bronze to the mould on Figure ...From the introduced cross - section of casts from the probe TDAg, it results that it together with ... See full document

6

High resolution crystal structures of piscine transthyretin reveal different binding modes for triiodothyronine and thyroxine

High resolution crystal structures of piscine transthyretin reveal different binding modes for triiodothyronine and thyroxine

... description of a thyroid hormone binding to TTR (17, ...that the two TTR hormone-binding sites, situated between monomers A, C and B, D, respectively, can be divided in three sections: an ... See full document

7

Structural insights into human peroxisome proliferator activated receptor delta (PPAR-delta) selective ligand binding.

Structural insights into human peroxisome proliferator activated receptor delta (PPAR-delta) selective ligand binding.

... effects of particular PPARs without harmful side effects associated with activation of other ...one of the PPARs cross- react with others and rational strategies to obtain highly selective ... See full document

7

Examination of the ligand-binding and enzymatic properties of a bilin-binding protein from the poisonous caterpillar Lonomia obliqua.

Examination of the ligand-binding and enzymatic properties of a bilin-binding protein from the poisonous caterpillar Lonomia obliqua.

... at the c-meso carbon allows it to take on a helical conformation ...[19,20]. The lack of observable binding by biliverdin IXa with BBPLo is explainable by the fact that a-meso cleavage ... See full document

11

Dystrophin is a microtubule-associated protein

Dystrophin is a microtubule-associated protein

... to the body, and fixed at room temperature for 2 h with 4% para-formaldehyde in phos- phate ...until the extensor digito- rum longus muscle was dissected and separated with fine forceps into mostly single ... See full document

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