Ligne de temps
Marc Delarue
Responsable de Structure
11 mars 2025
publication
Vestibular modulation by stimulant derivatives in a pentameric ligand-gated ion channel.
Lire plus07 mars 2025
publication
Crystal structures of monomeric BsmI restriction endonuclease reveal coordinated sequential cleavage of two DNA strands.
Lire plus14 déc. 2024
publication
Discovering cryptic pocket opening and binding of a stimulant derivative in a vestibular site of the 5-HT3A receptor
Lire plus06 déc. 2024
publication
Crystal structures of monomeric BsmI restriction endonuclease reveal a coordinated action of its two distinct active sites to sequentially cleave the two DNA strands
Lire plus09 oct. 2024
23 mai 2024
publication
MinActionPath2: path generation between different conformations of large macromolecular assemblies by action minimization
Lire plus07 févr. 2024
14 déc. 2023
publication
Molecular basis for proofreading by the unique exonuclease domain of Family-D DNA polymerases.
Lire plus13 juin 2023
publication
Analyzing the Geometry and Dynamics of Viral Structures: A Review of Computational Approaches Based on Alpha Shape Theory, Normal Mode Analysis, and Poisson–Boltzmann Theories
Lire plus27 avr. 2023
22 avr. 2023
18 avr. 2023
publication
Reclassification of family A DNA polymerases reveals novel functional subfamilies and distinctive structural features
Lire plus28 févr. 2023
publication
Computing the Gromov-Wasserstein Distance between Two Surface Meshes Using Optimal Transport
Lire plus06 mai 2022
18 nov. 2021
publication
Structural dynamics and determinants of 2-aminoadenine specificity in DNA polymerase DpoZ of vibriophage ϕVC8.
Lire plus25 oct. 2021
publication
Extracting Dynamical Correlations and Identifying Key Residues for Allosteric Communication in Proteins by correlationplus.
Lire plus05 sept. 2021
05 août 2021
publication
Characterization of a triad of genes in cyanophage S-2Lsufficient to replace adenine by 2-aminoadenine in bacterial DNA
Lire plus05 août 2021
publication
Characterization of a triad of genes in cyanophage S-2L sufficient to replace adenine by 2-aminoadenine in bacterial DNA.
Lire plus01 juin 2021
21 mai 2021
publication
Simultaneous Identification of Multiple Binding Sites in Proteins: A Statistical Mechanics Approach.
Lire plus23 avr. 2021
publication
How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.
Lire plus04 févr. 2021
01 janv. 2021
publication
Fast and efficient purification of SARS-CoV-2 RNA dependent RNA polymerase complex expressed in Escherichia coli.
Lire plus08 déc. 2020
publication
Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution
Lire plus01 juil. 2020
publication
Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel.
Lire plus16 juin 2020
publication
Structural basis for allosteric transitions of a multidomain pentameric ligand-gated ion channel.
Lire plus27 mars 2020
publication
Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA.
Lire plus26 juil. 2019
28 mai 2019
publication
Structural evidence for an “in trans” base selection mechanism involving Loop1 in polymerase μ at an NHEJ double-strand break junction
Lire plus26 mars 2019
publication
Rapid enzymatic synthesis of long RNA polymers: A simple protocol to generate RNA libraries with random sequences
Lire plus28 févr. 2019
13 févr. 2019
18 janv. 2019
publication
Structure of the DP1–DP2 PolD complex bound with DNA and its implications for the evolutionary history of DNA and RNA polymerases
Lire plus01 janv. 2019
publication
Structure of the DP1-DP2 PolD complex bound with DNA and its implications for the evolutionary history of DNA and RNA polymerases.
Lire plus28 déc. 2018
publication
Numerical Encodings of Amino Acids in Multivariate Gaussian Modeling of Protein Multiple Sequence Alignments
Lire plus12 déc. 2018
publication
Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel
Lire plus28 sept. 2018
publication
Coarse-grained dynamics of supramolecules: Conformational changes in outer shells of Dengue viruses
Lire plus24 juil. 2018
publication
Combined approaches from physics, statistics, and computer science for protein structure prediction: (unity is strength)?
Lire plus06 juil. 2018
publication
Enzymatic synthesis of random sequences of RNA and RNA analogues by DNA polymerase theta mutants for the generation of aptamer libraries
Lire plus24 avr. 2018
publication
Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels
Lire plus12 avr. 2018
publication
Terminal deoxynucleotidyltransferase: the story of an untemplated DNA polymerase capable of DNA bridging and templated synthesis across strands
Lire plus09 avr. 2018
publication
Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation
Lire plus15 mars 2018
27 déc. 2017
publication
Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel
Lire plus21 oct. 2017
09 mai 2017
publication
String method solution of the gating pathways for a pentameric ligand-gated ion channel
Lire plus15 mars 2017
24 févr. 2017
publication
The Renormalization Group and Its Applications to Generating Coarse-Grained Models of Large Biological Molecular Systems
Lire plus27 déc. 2016
16 déc. 2016
publication
Barbiturates Bind in the GLIC Ion Channel Pore and Cause Inhibition by Stabilizing a Closed State
Lire plus01 oct. 2016
publication
Vaccination Against Human Papilloma Viruses Leads to a Favorable Cytokine Profile of Specific T Cells
Lire plus22 août 2016
publication
Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.
Lire plus04 août 2016
publication
Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination
Lire plus26 avr. 2016
24 mars 2016
24 févr. 2016
publication
Structural Basis for Xenon Inhibition in a Cationic Pentameric Ligand-Gated Ion Channel
Lire plus01 janv. 2016
publication
Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.
Lire plus04 août 2015
31 juil. 2015
30 juil. 2015
30 juil. 2015
08 juil. 2015
11 mai 2015
15 avr. 2015
publication
Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair
Lire plus03 mars 2015
publication
Allosteric and hyperekplexic mutant phenotypes investigated on an α1 glycine receptor transmembrane structure.
Lire plus26 févr. 2015
14 mai 2014
publication
Crystallographic studies of pharmacological sites in pentameric ligand-gated ion channels
Lire plus06 janv. 2014
publication
Enhanced amino acid selection in fully evolved tryptophanyl-tRNA synthetase, relative to its urzyme, requires domain motion sensed by the D1 switch, a remote dynamic packing motif
Lire plus23 déc. 2013
publication
Crystal structures of a pentameric ligand-gated ion channel provide a mechanism for activation
Lire plus12 sept. 2013
publication
New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target
Lire plus13 juil. 2013
publication
Structures of intermediates along the catalytic cycle of terminal deoxynucleotidyltransferase: dynamical aspects of the two-metal ion mechanism
Lire plus12 févr. 2013
publication
Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels
Lire plus05 févr. 2013
publication
Computational assembly of polymorphic amyloid fibrils reveals stable aggregates
Lire plus01 janv. 2013
publication
Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel
Lire plus28 sept. 2012
publication
2′-Deoxyribonucleoside phosphoramidate triphosphate analogues as alternative substrates for E. coli polymerase III
Lire plus16 août 2012
publication
Molecular recognition of canonical and deaminated bases by P. abyssi family B DNA polymerase
Lire plus06 juin 2012
publication
Structure and pharmacology of pentameric receptor channels: from bacteria to brain
Lire plus13 mai 2012
publication
A locally closed conformation of a bacterial pentameric proton-gated ion channel
Lire plus23 déc. 2011
07 août 2011
publication
Adapting Poisson-Boltzmann to the self-consistent mean field theory: application to protein side-chain modeling
Lire plus10 juin 2011
publication
AquaSAXS: a web server for computation and fitting of SAXS profiles with non-uniformally hydrated atomic models
Lire plus20 janv. 2011
publication
X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel
Lire plus18 août 2010
publication
Structural insights into the quinolone resistance mechanism of Mycobacterium tuberculosis DNA gyrase
Lire plus22 mars 2010
publication
One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue
Lire plus14 févr. 2010
publication
AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation
Lire plus07 déc. 2009
publication
Atomic structure and dynamics of pentameric ligand-gated ion channels: new insight from bacterial homologues
Lire plus13 nov. 2009
publication
Crystal structure of the extracellular domain of a bacterial ligand-gated ion channel
Lire plus05 juin 2009
publication
Conferring a template-dependent polymerase activity to terminal deoxynucleotidyltransferase by mutations in the Loop1 region
Lire plus30 avr. 2009
01 avr. 2009
publication
Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation
Lire plus05 mars 2009
publication
Structure of the archaeal pab87 peptidase reveals a novel self-compartmentalizing protease family
Lire plus24 févr. 2009
publication
Beyond the Poisson-Boltzmann model: modeling biomolecule-water and water-water interactions
Lire plus27 janv. 2009
publication
Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations
Lire plus05 nov. 2008
publication
X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation
Lire plus26 sept. 2008
publication
Incorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics
Lire plus05 déc. 2007
publication
Dealing with structural variability in molecular replacement and crystallographic refinement through normal-mode analysis
Lire plus01 juin 2007
publication
MinActionPath: maximum likelihood trajectory for large-scale structural transitions in a coarse-grained locally harmonic energy landscape
Lire plus12 déc. 2006
publication
An asymmetric underlying rule in the assignment of codons: possible clue to a quick early evolution of the genetic code via successive binary choices
Lire plus22 nov. 2006
publication
Three dimensional structure and implications for the catalytic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei
Lire plus01 sept. 2006
publication
Determination of dihedral Psi angles in large proteins by combining NH(N)/C(alpha)H(alpha) dipole/dipole cross-correlation and chemical shifts
Lire plus01 juil. 2006
publication
NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis
Lire plus01 juil. 2006
publication
PDB_Hydro: incorporating dipolar solvents with variable density in the Poisson-Boltzmann treatment of macromolecule electrostatics
Lire plus08 août 2005
publication
Refinement of docked protein-ligand and protein-DNA structures using low frequency normal mode amplitude optimization
Lire plus01 avr. 2005
publication
Normal mode analysis suggests a quaternary twist model for the nicotinic receptor gating mechanism
Lire plus19 avr. 2004
publication
On the use of low-frequency normal modes to enforce collective movements in refining macromolecular structural models
Lire plus11 avr. 2003
publication
Mycobacterium tuberculosis thymidylate kinase: structural studies of intermediates along the reaction pathway. Fioravanti E, Haouz A, Ursby T, Munier-Lehmann H, Delarue M, Bourgeois D.
Lire plus01 févr. 2003
publication
Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism
Lire plus26 juil. 2002
publication
Simplified normal mode analysis of conformational transitions in DNA-dependent polymerases: the elastic network model.
Lire plus01 juin 2002
publication
Database searching for thymidine and thymidylate kinase inhibitors using three-dimensional structure-based methods
Lire plus22 mars 2002
publication
Cryophotolysis of caged compounds: a technique for trapping intermediate states in protein crystals
Lire plus01 févr. 2002
publication
Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase.
Lire plus03 août 2001
publication
X-ray structure of TMP kinase from Mycobacterium tuberculosis complexed with TMP at 1.95 A resolution.
Lire plus01 déc. 2000
publication
Crystallization of the catalytic domain of murine terminal deoxynucleotidyl transferase.
Lire plus01 nov. 2000
publication
General formalism for phase combination and phase refinement: a statistical thermodynamics approach in reciprocal space.
Lire plus01 nov. 2000
publication
Resolution of the phase-ambiguity problem in the centrosymmetric P [1] space group by Monte Carlo methods.
Lire plus14 juil. 2000
publication
Solution structural studies and low-resolution model of the Schizosaccharomyces pombe sap1 protein.
Lire plus23 juin 2000
publication
Aspartyl tRNA-synthetase from Escherichia coli: flexibility and adaptability to the substrates.
Lire plus01 févr. 2000
publication
Crystallization and preliminary X-ray analysis of the thymidylate kinase from Mycobacterium tuberculosis.
Lire plus01 juin 1998
publication
Minimisation of protein lattice distortion based on self-consitent mean-field theory.
Lire plus01 juin 1997
publication
The inverse protein folding problem: self-consistent mean field optimisation of a structure specific mutation matrix.
Lire plus01 juin 1997
publication
The native sequence determines sidechain packing in a protein, but does optimal sidechain packing determine the native sequence?
Lire plus16 sept. 1996
publication
Cloning and characterisation of a gene from Plasmodium vivax and P. knowlesi: homology with valine-tRNA synthetase.
Lire plus01 juin 1996
01 avr. 1996
01 juil. 1995
01 juin 1995
publication
Partition of aminoacyl-tRNA synthetases in two different structural classes dating back to early metabolism: implications for the origin of the genetic code and the nature of protein sequences.
Lire plus01 juin 1995
publication
Atomic environment energies in proteins defined from statistics of accessible and contact surface areas.
Lire plus01 févr. 1995
publication
A self consistent mean field approach to simultaneous gap closure and side-chain positioning in homology modelling.
Lire plus01 févr. 1995
25 nov. 1994
publication
Synthesis and recognition of aspartyl-adenylate by Thermus thermophilus aspartyl-tRNA synthetase.
Lire plus18 nov. 1994
publication
Crystallization and X-ray crystallographic analysis of recombinant chicken poly(ADP-ribose) polymerase catalytic domain produced in Sf9 insect cells.
Lire plus01 nov. 1994
publication
Polar and nonpolar atomic environments in the protein core: implications for folding and binding.
Lire plus15 juil. 1994
03 juin 1994
publication
Application of a self-consistent mean field theory to predict protein side-chains conformation and estimate their conformational entropy.
Lire plus01 juin 1994
publication
Rift Valley fever virus L segment: correction of the sequence and possible functional role of newly identified regions conserved in RNA-dependent polymerases.
Lire plus01 oct. 1993
05 juil. 1993
25 avr. 1993
publication
Identification of potential active-site residues in the human poly(ADP-ribose) polymerase.
Lire plus01 sept. 1992
publication
Three-dimensional structure of phenylalanyl-transfer RNA synthetase from Thermus thermophilus HB8 at 0.6- nm resolution.
Lire plus02 janv. 1992
13 sept. 1990
publication
Partition of tRNA synthetases into two classes based on mutually exclusive sets of sequence motifs.
Lire plus01 août 1990
01 juin 1990
01 mai 1990
20 déc. 1989
publication
Crystallization and preliminary crystallographic data for bovine antithrombin III.
Lire plus01 déc. 1989
publication
Identification of four conserved motifs among the RNA-dependent polymerase encoding elements.
Lire plus02 janv. 1989