protein-ligand complexes
Predicting binding poses and affinities for protein-ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation
... Sergei Grudinin · Maria Kadukova · Andreas Eisenbarth · Simon Marillet · Fr´ ed´ eric Cazals Received: date / Accepted: date Abstract The 2015 D3R Grand Challenge pro- vided an opportunity to test our new model for the ...
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Solid-State 17O NMR Spectroscopy of Large Protein-Ligand Complexes
... for protein–ligand complexes as large as 300 kDa per ligand with 90 % 17 O enrichment and a data-acquisition time of 48 ...probing protein–ligand ...
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Accurate Representation of Protein-Ligand Structural Diversity in the Protein Data Bank (PDB)
... Keywords: protein-ligand complexes; dataset; clustering; structural alignment; refinement ...Introduction Protein structures are the support of essential biological ...the Protein Data ...
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Development of chemogenomic approaches for prediction of protein - ligand interactions
... with protein information, and the ulti- mate goal is to identify all possible interactions between ligands and proteins of the ...the protein-ligand space makes any systematic experimental ...
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Rapid and easy development of versatile tools to study protein/ligand interactions
... The mutual affinity of the N-terminal and C-terminal frag- ments of BlaP after thrombin cleavage and the presence of a polyhistidine tag at the C-terminal end of BlaP constitute an ideal opportunity to prepare pure CHBD ...
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Molecular Characterisation of Endogenous Vangl2/Vangl1 Heteromeric Protein Complexes
... The N-terminal region is the most divergent region between the 2 proteins, therefore the region encompassing amino acids 1–102 was used for the generation of immunogenic sequences fused with a glutathione-S-transferase ...
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Mononuclear copper(II) complexes containing a macrocyclic ditopic ligand: synthesis, structures and properties
... mononuclear complexes in the unit cell, but crystallographically distinct Cu(II) centers (Table 1 and ...2 ligand, within a pseudo-square-based pyramidal geometry including the (O(1), N(1), N(6), N(7)) ...
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Purification and Identification of G Protein- coupled Receptor Protein Complexes under Native Conditions
... any protein. The full-length protein of interest can be ex- pressed in mammalian cells where subcellular localization and post-translational modifications are ...of protein complexes may be ...
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Ligand-based electronic effects on the electrocatalytic hydrogen production by thiosemicarbazone nickel complexes
... nickel complexes for which the R 1 and R 2 phenyl ring substituents were chosen to cover a wide range of electron-donating ...The complexes were experimentally and theoretically characterized, and shown to ...
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Photocommutation à l'état solide dans les complexes de ruthénium à ligand nitrosyle. Vers la réalisation de matériaux composites photochromes
... des complexes amine paramagnétiques de métaux de ...D’autres complexes synthétisés par ...des complexes de cuivre et de nickel présentent également les deux propriétés, magnétique et ...
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Synthèse et caractérisation de complexes métalliques avec le ligand 2,2'-biimidazole et son dérivé 1,1'-diméthyl-2,2'-biimidazole
... Dans le composé neutre analogue (N03hCd(Il-Me2biimhCd(N03h comportant seulement des ligands Me2biim pontants, la coordination octaédrique déformée de chacun des atomes[r] ...
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Cobalt complexes of an OSNSO-tetrapodal pentadentate ligand: Synthesis, structures and reactivity
... center. Ligand 1 acts as a pentadentate tetrapodal ligand, with the two thioether-phenolate (S,O) moieties oriented anti to each other, and the connecting pyridine (of 1) located trans to the additional ...
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Non-classical ligand-independent regulation of Go protein by an orphan Class C GPCR
... Here we addressed the role of scaffolding and signaling of GPR158. We show that RGS7 interacts in the proximal part of the C-terminal intracellular domain, while Gao interacts downstream of this site with two of the ...
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Biaryl Phosphine Based Pd(II) Amido Complexes: The Effect of Ligand Structure on Reductive Elimination
... amido complexes derived from electron-de ficient aryl halides or electron-rich diarylamines undergo faster rates of reductive ...hybrid ligand (2- (dicyclohexylphosphino)-3,6-dimethoxy-2 ...
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Molybdenum Complexes Bearing the Tris(1-pyrazolyl)methanesulfonate Ligand: Synthesis, Characterization and Electrochemical Behaviour
... the complexes were measured by cyclic voltammetry and their values are quoted relative to the SCE by using the [Fe( 5 - C5H5)2] 0/+ redox couple (E1/2 ox = ...
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Insight of the metal-ligand interaction in f elements complexes by paramagnetic NMR spectroscopy
... H 5 slopes divided by the H 6 one leads to = 2.20 and =1.37 which are in good agreement with the values of Table 1. This validates the hypothesis that the crystal field parameter is almost invariant along the lanthanide ...
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Preparation and characterization of bacterial protein complexes for structural analysis
... a protein com- ...removing protein aggregates, and polishing the protein sample, while at the same time permitting buffer exchange to the final buffer used for ...characterizing protein ...
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Dissecting Interfaces of Antibody -Antigen Complexes: from Ligand Specific Features to Binding Affinity Predictions
... Summarizing, the pattern of seams is the same either when considering all exposed CDR atoms, or only interface atoms. Moreover, VH CDR3 is the one making most contacts with other CDR, and VH CDR3 and VL CDR3 account for ...
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A non-parametric method to compute protein–protein and protein–ligands interfaces. Application to HIV-2 protease–inhibitors complexes
... Mahdavi,S., Mohades,A., Yazdi,A.S., Jahandideh,S., Masoudi-Nejad,A. (2012) Computa- tional analysis of RNA-protein interaction interfaces via the Voronoi diagram. J. Theor. Biol., 293, 55–64. Martin,J., Regad,L., ...
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en fr study of complexes involving TCTP (Translationally Controlled Tumor Protein) Etude des complexes entre TCTP (Translationally Controlled Tumor Protein) et ses partenaires
... Tumor Protein) a été identifiée comme une protéine clef de la réversion tumorale car sa délétion dans les cellules cancéreuses induit, à elle seule, leur transformation en cellules ...
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