Timeline

Marc Delarue
Head of Structure
05 Aug 2021
publication

Characterization of a triad of genes in cyanophage S-2L sufficient to replace adenine by 2-aminoadenine in bacterial DNA.

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01 Jul 2021
publication

Characterization of a triad of genes in cyanophage S-2L sufficient to replace adenine by 2-aminoadenine in bacterial DNA

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11 Jun 2021
publication

Parameterizing elastic network models to capture the dynamics of proteins.

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01 Jun 2021
publication

Physics approach to the variable-mass optimal-transport problem

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21 May 2021
publication

Simultaneous Identification of Multiple Binding Sites in Proteins: A Statistical Mechanics Approach.

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29 Apr 2021
publication

Fast and efficient purification of SARS-CoV-2 RNA dependent RNA polymerase complex expressed in Escherichia coli.

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23 Apr 2021
publication

How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.

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04 Feb 2021
software

MinActionPath

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08 Dec 2020
publication

Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution

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01 Jul 2020
publication

Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel.

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16 Jun 2020
publication

Structural basis for allosteric transitions of a multidomain pentameric ligand-gated ion channel.

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27 Mar 2020
publication

Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA.

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26 Jul 2019
publication

Statistical Physics Approach to the Optimal Transport Problem.

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28 May 2019
publication

Structural evidence for an “in trans” base selection mechanism involving Loop1 in polymerase μ at an NHEJ double-strand break junction

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26 Mar 2019
publication

Rapid enzymatic synthesis of long RNA polymers: A simple protocol to generate RNA libraries with random sequences

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13 Feb 2019
team

Structural Molecular Biology and Infectious Process

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18 Jan 2019
publication

Structure of the DP1–DP2 PolD complex bound with DNA and its implications for the evolutionary history of DNA and RNA polymerases

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18 Jan 2019
publication

Structure of the DP1-DP2 PolD complex bound with DNA and its implications for the evolutionary history of DNA and RNA polymerases

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15 Jan 2019
publication

An updated structural classification of replicative DNA polymerases

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28 Dec 2018
publication

Numerical Encodings of Amino Acids in Multivariate Gaussian Modeling of Protein Multiple Sequence Alignments

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12 Dec 2018
publication

Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel

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28 Sep 2018
publication

Coarse-grained dynamics of supramolecules: Conformational changes in outer shells of Dengue viruses

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24 Jul 2018
publication

Combined approaches from physics, statistics, and computer science for protein structure prediction: (unity is strength)?

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06 Jul 2018
publication

Enzymatic synthesis of random sequences of RNA and RNA analogues by DNA polymerase theta mutants for the generation of aptamer libraries

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24 Apr 2018
publication

Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels

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12 Apr 2018
publication

Terminal deoxynucleotidyltransferase: the story of an untemplated DNA polymerase capable of DNA bridging and templated synthesis across strands

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09 Apr 2018
publication

Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation

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15 Mar 2018
publication

Meet-U: Educating through research immersion

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27 Dec 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

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21 Oct 2017
publication

Ab initio sampling of transition paths by conditioned Langevin dynamics

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09 May 2017
publication

String method solution of the gating pathways for a pentameric ligand-gated ion channel

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15 Mar 2017
publication

Identification of a pre-active conformation of a pentameric channel receptor

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24 Feb 2017
publication

The Renormalization Group and Its Applications to Generating Coarse-Grained Models of Large Biological Molecular Systems

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27 Dec 2016
publication

Comparative Normal Mode Analysis of the Dynamics of DENV and ZIKV Capsids

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16 Dec 2016
publication

Barbiturates Bind in the GLIC Ion Channel Pore and Cause Inhibition by Stabilizing a Closed State

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01 Oct 2016
publication

Vaccination Against Human Papilloma Viruses Leads to a Favorable Cytokine Profile of Specific T Cells

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22 Aug 2016
publication

Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.

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04 Aug 2016
publication

Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination

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26 Apr 2016
publication

Beyond Poisson-Boltzmann: Numerical Sampling of Charge Density Fluctuations

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24 Mar 2016
publication

Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel

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24 Feb 2016
publication

Structural Basis for Xenon Inhibition in a Cationic Pentameric Ligand-Gated Ion Channel

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04 Aug 2015
project

Development of methods in computational structural biology

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04 Aug 2015
software

AquaSol

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31 Jul 2015
project

DNA Polymerases Engineering and Synthetic Biology

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30 Jul 2015
software

NOMAD-Ref

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30 Jul 2015
project

DNA Repair and Cancer

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08 Jul 2015
project

Ligand-gated Ion channels

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11 May 2015
team

Architecture and Dynamics of Biological Macromolecules

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11 Mar 2015
publication

Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair

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26 Feb 2015
publication

Genuine open form of the pentameric ligand-gated ion channel GLIC

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17 Feb 2015
publication

Allosteric and hyperekplexic mutant phenotypes investigated on an α1 glycine receptor transmembrane structure

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14 May 2014
publication

Crystallographic studies of pharmacological sites in pentameric ligand-gated ion channels

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06 Jan 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

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23 Dec 2013
publication

Crystal structures of a pentameric ligand-gated ion channel provide a mechanism for activation

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12 Sep 2013
publication

New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target

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13 Jul 2013
publication

Structures of intermediates along the catalytic cycle of terminal deoxynucleotidyltransferase: dynamical aspects of the two-metal ion mechanism

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12 Feb 2013
publication

Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels

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05 Feb 2013
publication

Computational assembly of polymorphic amyloid fibrils reveals stable aggregates

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01 Jan 2013
publication

Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel

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28 Sep 2012
publication

2′-Deoxyribonucleoside phosphoramidate triphosphate analogues as alternative substrates for E. coli polymerase III

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16 Aug 2012
publication

Molecular recognition of canonical and deaminated bases by P. abyssi family B DNA polymerase

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06 Jun 2012
publication

Structure and pharmacology of pentameric receptor channels: from bacteria to brain

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13 May 2012
publication

A locally closed conformation of a bacterial pentameric proton-gated ion channel

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23 Dec 2011
publication

[X-ray structures of general anesthetics bound to their molecular targets]

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07 Aug 2011
publication

Adapting Poisson-Boltzmann to the self-consistent mean field theory: application to protein side-chain modeling

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10 Jun 2011
publication

AquaSAXS: a web server for computation and fitting of SAXS profiles with non-uniformally hydrated atomic models

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20 Jan 2011
publication

X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel

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18 Aug 2010
publication

Structural insights into the quinolone resistance mechanism of Mycobacterium tuberculosis DNA gyrase

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22 Mar 2010
publication

One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue

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14 Feb 2010
publication

AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation

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07 Dec 2009
publication

Atomic structure and dynamics of pentameric ligand-gated ion channels: new insight from bacterial homologues

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13 Nov 2009
publication

Crystal structure of the extracellular domain of a bacterial ligand-gated ion channel

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05 Jun 2009
publication

Conferring a template-dependent polymerase activity to terminal deoxynucleotidyltransferase by mutations in the Loop1 region

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30 Apr 2009
publication

Computing ion solvation free energies using the dipolar Poisson model

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01 Apr 2009
publication

Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation

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05 Mar 2009
publication

Structure of the archaeal pab87 peptidase reveals a novel self-compartmentalizing protease family

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24 Feb 2009
publication

Beyond the Poisson-Boltzmann model: modeling biomolecule-water and water-water interactions

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27 Jan 2009
publication

Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations

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05 Nov 2008
publication

X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation

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26 Sep 2008
publication

Incorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics

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05 Dec 2007
publication

Dealing with structural variability in molecular replacement and crystallographic refinement through normal-mode analysis

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01 Jun 2007
publication

MinActionPath: maximum likelihood trajectory for large-scale structural transitions in a coarse-grained locally harmonic energy landscape

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12 Dec 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

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22 Nov 2006
publication

Three dimensional structure and implications for the catalytic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei

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01 Sep 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

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01 Jul 2006
publication

NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis

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01 Jul 2006
publication

PDB_Hydro: incorporating dipolar solvents with variable density in the Poisson-Boltzmann treatment of macromolecule electrostatics

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08 Aug 2005
publication

Refinement of docked protein-ligand and protein-DNA structures using low frequency normal mode amplitude optimization

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01 Apr 2005
publication

Normal mode analysis suggests a quaternary twist model for the nicotinic receptor gating mechanism

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19 Apr 2004
publication

On the use of low-frequency normal modes to enforce collective movements in refining macromolecular structural models

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11 Apr 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.

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01 Feb 2003
publication

Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism

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26 Jul 2002
publication

Simplified normal mode analysis of conformational transitions in DNA-dependent polymerases: the elastic network model.

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01 Jun 2002
publication

Database searching for thymidine and thymidylate kinase inhibitors using three-dimensional structure-based methods

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22 Mar 2002
publication

Cryophotolysis of caged compounds: a technique for trapping intermediate states in protein crystals

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01 Feb 2002
publication

Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase.

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03 Aug 2001
publication

X-ray structure of TMP kinase from Mycobacterium tuberculosis complexed with TMP at 1.95 A resolution.

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01 Dec 2000
publication

Crystallization of the catalytic domain of murine terminal deoxynucleotidyl transferase.

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01 Nov 2000
publication

General formalism for phase combination and phase refinement: a statistical thermodynamics approach in reciprocal space.

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01 Nov 2000
publication

Resolution of the phase-ambiguity problem in the centrosymmetric P [1] space group by Monte Carlo methods.

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14 Jul 2000
publication

Solution structural studies and low-resolution model of the Schizosaccharomyces pombe sap1 protein.

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23 Jun 2000
publication

Aspartyl tRNA-synthetase from Escherichia coli: flexibility and adaptability to the substrates.

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01 Feb 2000
publication

Crystallization and preliminary X-ray analysis of the thymidylate kinase from Mycobacterium tuberculosis.

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01 Jun 1998
publication

Minimisation of protein lattice distortion based on self-consitent mean-field theory.

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01 Jun 1997
publication

The inverse protein folding problem: self-consistent mean field optimisation of a structure specific mutation matrix.

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01 Jun 1997
publication

The native sequence determines sidechain packing in a protein, but does optimal sidechain packing determine the native sequence?

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16 Sep 1996
publication

Cloning and characterisation of a gene from Plasmodium vivax and P. knowlesi: homology with valine-tRNA synthetase.

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01 Jun 1996
publication

Converting sequence block alignments into structural insights.

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01 Apr 1996
publication

Mean-field minimization methods for biological macromolecules.

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01 Jul 1995
publication

Structure of phenylalanyl-tRNA synthetase from Thermus thermophilus.

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01 Jun 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.

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01 Jun 1995
publication

Atomic environment energies in proteins defined from statistics of accessible and contact surface areas.

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01 Feb 1995
publication

A self consistent mean field approach to simultaneous gap closure and side-chain positioning in homology modelling.

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01 Feb 1995
publication

Aminoacyl-tRNA synthetases.

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25 Nov 1994
publication

Synthesis and recognition of aspartyl-adenylate by Thermus thermophilus aspartyl-tRNA synthetase.

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18 Nov 1994
publication

Crystallization and X-ray crystallographic analysis of recombinant chicken poly(ADP-ribose) polymerase catalytic domain produced in Sf9 insect cells.

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01 Nov 1994
publication

Polar and nonpolar atomic environments in the protein core: implications for folding and binding.

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15 Jul 1994
publication

Crystal structure of a prokaryotic aspartyl tRNA-synthetase.

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03 Jun 1994
publication

Application of a self-consistent mean field theory to predict protein side-chains conformation and estimate their conformational entropy.

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01 Jun 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.

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01 Oct 1993
publication

The aminoacyl-tRNA synthetase family: modules at work.

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05 Jul 1993
publication

Crystal structure of cleaved bovine antithrombin III at 3.2 A resolution.

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25 Apr 1993
publication

Identification of potential active-site residues in the human poly(ADP-ribose) polymerase.

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01 Sep 1992
publication

Three-dimensional structure of phenylalanyl-transfer RNA synthetase from Thermus thermophilus HB8 at 0.6- nm resolution.

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13 Sep 1990
publication

Partition of tRNA synthetases into two classes based on mutually exclusive sets of sequence motifs.

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01 Aug 1990
publication

Antithrombin III: structural and functional aspects.

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01 Jun 1990
publication

Crystal structure of bovine antithrombin III: the molecular replacement solution.

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01 May 1990
publication

An attempt to unify the structure of polymerases.

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20 Dec 1989
publication

Crystallization and preliminary crystallographic data for bovine antithrombin III.

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01 Dec 1989
publication

Identification of four conserved motifs among the RNA-dependent polymerase encoding elements.

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