List of works by Axel T. Brunger

2.3 A crystal structure of tetanus neurotoxin light chain

scientific article

A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate

scientific article

A Structural Change Occurs upon Binding of Syntaxin to SNAP-25

scientific article published in Journal of Biological Chemistry

A comparison of the restrained molecular dynamics and distance geometry methods for determining three-dimensional structures of proteins on the basis of interproton distances

article

A dimerization motif for transmembrane α–helices

scientific article published on 01 March 1994

A grid-enabled web service for low-resolution crystal structure refinement

scientific article (publication date: March 2012)

A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

scientific article published on 26 September 2015

A highly automated heavy-atom search procedure for macromolecular structures

scientific article

A hybrid machine-learning approach for segmentation of protein localization data

scientific article

A new generation of crystallographic validation tools for the protein data bank

scientific article

A novel evolutionarily conserved domain of cell-adhesion GPCRs mediates autoproteolysis

scientific article

A revised model for the oligomeric state of the N-ethylmaleimide-sensitive fusion protein, NSF.

scientific article published in June 1998

A smooth and differentiable bulk-solvent model for macromolecular diffraction

scientific article published on 13 August 2010

A ubiquitin ligase transfers preformed polyubiquitin chains from a conjugating enzyme to a substrate

scientific article

ATG14 promotes membrane tethering and fusion of autophagosomes to endolysosomes

scientific journal article

Ab initio molecular-replacement phasing for symmetric helical membrane proteins

scientific article

Accessory proteins stabilize the acceptor complex for synaptobrevin, the 1:1 syntaxin/SNAP-25 complex

scientific article

Active site dynamics in protein molecules: a stochastic boundary molecular-dynamics approach.

scientific article published in May 1985

Active site dynamics of ribonuclease

scientific article published on December 1985

Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex

scientific article

Advances, interactions, and future developments in the CNS, Phenix, and Rosetta structural biology software systems

scientific article published on 28 February 2013

Amino-acid substitutions in a surface turn modulate protein stability

scientific article

Analysis of a yeast SNARE complex reveals remarkable similarity to the neuronal SNARE complex and a novel function for the C terminus of the SNAP-25 homolog, Sec9.

scientific article

Annealing in crystallography: a powerful optimization tool

scientific article published on 01 January 1999

Application of DEN refinement and automated model building to a difficult case of molecular-replacement phasing: the structure of a putative succinyl-diaminopimelate desuccinylase from Corynebacterium glutamicum

scientific article

Application of molecular dynamics with interproton distance restraints to three-dimensional protein structure determination. A model study of crambin

scientific article

Architecture of the synaptotagmin-SNARE machinery for neuronal exocytosis

scientific article

Are there dominant membrane protein families with a given number of helices?

scientific article published on 01 August 1997

Assessing the quality of solution nuclear magnetic resonance structures by complete cross-validation.

scientific article published in July 1993

Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin

scientific article published on January 2016

Automated crystallographic ligand building using the medial axis transform of an electron-density isosurface.

scientific article published on 28 September 2005

Automated modeling of coiled coils: application to the GCN4 dimerization region

scientific article published in August 1991

Automatic Solution of Heavy-Atom Substructures

scientific article published on 01 January 2003

Beltless translocation domain of botulinum neurotoxin A embodies a minimum ion-conductive channel

scientific article published on 12 December 2011

Botulinum neurotoxin B recognizes its protein receptor with high affinity and specificity

scientific article

Botulinum neurotoxin heavy chain belt as an intramolecular chaperone for the light chain

scientific article

C-terminal domain of mammalian complexin-1 localizes to highly curved membranes

scientific article

Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array

scientific article

Central pore residues mediate the p97/VCP activity required for ERAD

scientific article (publication date: 19 May 2006)

Chromophore-protein interactions and the function of the photosynthetic reaction center: a molecular dynamics study.

scientific article

Climate change and the integrity of science

scientific article

Combining Crystallographic and Structure-Modeling Approaches in Macromolecular Crystallography

scholarly article by Thomas C. Terwilliger et al published January 2014 in Biophysical Journal

Combining efficient conformational sampling with a deformable elastic network model facilitates structure refinement at low resolution

scientific article

Complete structure of p97/valosin-containing protein reveals communication between nucleotide domains

scientific article (publication date: October 2003)

Complexin induces a conformational change at the membrane-proximal C-terminal end of the SNARE complex

scientific article published on 02 June 2016

Complexin inhibits spontaneous release and synchronizes Ca2+-triggered synaptic vesicle fusion by distinct mechanisms

scientific article

Complexin-1 enhances the on-rate of vesicle docking via simultaneous SNARE and membrane interactions

scientific article published on 04 October 2013

Computational aspects of high-throughput crystallographic macromolecular structure determination

scientific article

Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMR-spectroscopy

scientific article

Computational searching and mutagenesis suggest a structure for the pentameric transmembrane domain of phospholamban

scientific article published on 01 February 1995

Conformation of the synaptobrevin transmembrane domain

scholarly article

Conformational Variability of Solution Nucelar Magnetic Resonance Structures

scientific article published on 01 June 1995

Conformational change of syntaxin linker region induced by Munc13s initiates SNARE complex formation in synaptic exocytosis. ⬇️

scientific article

Conformational changes of the multifunction p97 AAA ATPase during its ATPase cycle

scientific article (publication date: December 2002)

Conserved structural features of the synaptic fusion complex: SNARE proteins reclassified as Q- and R-SNAREs

scientific article

Considerations for the refinement of low-resolution crystal structures

Continuous fluorescence microphotolysis: A sensitive method for study of diffusion processes in single cells

scientific article

Correction: Gently does it for submicron crystals

Correction: Synaptic proteins promote calcium-triggered fast transition from point contact to full fusion

scientific article published on 21 October 2015

Crystal structure of a hyperactive Escherichia coli glycerol kinase mutant Gly230 --> Asp obtained using microfluidic crystallization devices

scientific article

Crystal structure of the cytosolic C2A-C2B domains of synaptotagmin III. Implications for Ca(+2)-independent snare complex interaction

scientific article

Crystal structure of the hCASK PDZ domain reveals the structural basis of class II PDZ domain target recognition

scientific article

Crystallographic refinement by simulated annealing. Application to a 2.8 A resolution structure of aspartate aminotransferase.

scientific article

Crystallographic refinement by simulated annealing: methods and applications

scientific article published on 01 January 1997

Crystallography: crystallographic evidence for deviating C3b structure

scientific article published on August 2007

Data Exploration Toolkit for serial diffraction experiments

scientific article

De novo phasing with X-ray laser reveals mosquito larvicide BinAB structure

scientific article

Deformable elastic network refinement for low-resolution macromolecular crystallography

scientific article

Deformable modeling for improved calculation of molecular velocities from single-particle tracking.

scientific article published in January 2005

Determination of the backbone conformation of secretin by restrained molecular dynamics on the basis of interproton distance data

scientific article

Determination of three-dimensional structures of proteins by simulated annealing with interproton distance restraints. Application to crambin, potato carboxypeptidase inhibitor and barley serine proteinase inhibitor 2.

scientific article published in April 1988

Dimerization of glycophorin A transmembrane helices: mutagenesis and modeling.

scientific article

Direct visualization of trans-synaptic neurexin-neuroligin interactions during synapse formation

scientific article

Disassembly of all SNARE complexes by N-ethylmaleimide-sensitive factor (NSF) is initiated by a conserved 1:1 interaction between α-soluble NSF attachment protein (SNAP) and SNARE complex

scientific journal article

Do NOE distances contain enough information to assess the relative populations of multi-conformer structures?

scientific article published in January 1996

Domain flexibility in the 1.75 A resolution structure of Pb2+-calmodulin

scientific article

Dramatic structural and thermodynamic consequences of repacking a protein's hydrophobic core

scientific article

Electron cryomicroscopy structure of N-ethyl maleimide sensitive factor at 11 A resolution

scientific article

Enabling X-ray free electron laser crystallography for challenging biological systems from a limited number of crystals

scientific article

Ensemble molecular dynamics yields submillisecond kinetics and intermediates of membrane fusion

scholarly article

Epsin 1 undergoes nucleocytosolic shuttling and its eps15 interactor NH(2)-terminal homology (ENTH) domain, structurally similar to Armadillo and HEAT repeats, interacts with the transcription factor promyelocytic leukemia Zn(2)+ finger protein (PLZ

scientific article

Exo84 and Sec5 are competitive regulatory Sec6/8 effectors to the RalA GTPase

scientific article

Experimentally based orientational refinement of membrane protein models: A structure for the Influenza A M2 H+ channel

scientific article

Exploration of disorder in protein structures by X-ray restrained molecular dynamics

article

Exploring the structural dynamics of the E.coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states

scientific article

Expression of C1ql3 in Discrete Neuronal Populations Controls Efferent Synapse Numbers and Diverse Behaviors

scientific article

Extending the limits of molecular replacement through combined simulated annealing and maximum-likelihood refinement.

scientific article published in January 1999

Folding intermediates of SNARE complex assembly

scientific journal article

Formation of a yeast SNARE complex is accompanied by significant structural changes

scientific journal article

Free R value: cross-validation in crystallography

scientific article published on 01 January 1997

Gently does it for submicron crystals.

scientific article

Goniometer-based femtosecond crystallography with X-ray free electron lasers

scientific article

Helicity, membrane incorporation, orientation and thermal stability of the large conductance mechanosensitive ion channel from E. coli

scientific article

Helix packing in proteins: Prediction and energetic analysis of dimeric, trimeric, and tetrameric GCN4 coiled coil structures

article

High resolution structure, stability, and synaptotagmin binding of a truncated neuronal SNARE complex

scientific article

High-density grids for efficient data collection from multiple crystals

scientific article

Highly specific interactions between botulinum neurotoxins and synaptic vesicle proteins

scientific article published on August 2008

Human ornithine aminotransferase complexed with L-canaline and gabaculine: structural basis for substrate recognition

scientific article

IOTA: integration optimization, triage and analysis tool for the processing of XFEL diffraction images

scientific article

Identification of a minimal core of the synaptic SNARE complex sufficient for reversible assembly and disassembly

scientific journal article

Improved crystallographic models through iterated local density-guided model deformation and reciprocal-space refinement

scientific article

Improved prediction for the structure of the dimeric transmembrane domain of glycophorin A obtained through global searching

scientific article published on November 1996

Improved structures of full-length p97, an AAA ATPase: implications for mechanisms of nucleotide-dependent conformational change

scientific article

Improving the Accuracy of Macromolecular Structure Refinement at 7 Å Resolution

scientific article

Influence of internal dynamics on accuracy of protein NMR structures: derivation of realistic model distance data from a long molecular dynamics trajectory.

scientific article

Inhibition of calcium-triggered secretion by hydrocarbon-stapled peptides

scientific article published on 23 March 2022

Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons

scientific article published on 8 November 2006

Interhelical hydrogen bonding drives strong interactions in membrane proteins

scientific article published on 01 February 2000

Iterative Structure-Based Peptide-Like Inhibitor Design against the Botulinum Neurotoxin Serotype A

scientific article

Low-Resolution Crystallography Is Coming of Age

scholarly article by Axel T. Brunger published February 2005 in Structure

Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.

scientific article published on 30 September 2015

Mechanistic insights into active site-associated polyubiquitination by the ubiquitin-conjugating enzyme Ube2g2

scientific article

Mechanistic insights into the recycling machine of the SNARE complex

scientific article

Microscopic theory of the dielectric properties of proteins

scientific article published on March 1991

Model morphing and sequence assignment after molecular replacement

scientific article published on 18 October 2013

Models for the transmembrane region of the phospholamban pentamer: which is correct?

scientific article

Molecular Mechanisms of Synaptic Vesicle Priming by Munc13 and Munc18.

scientific article published in August 2017

Molecular and stochastic dynamics of proteins

scientific article

Molecular dynamics applied to X-ray structure refinement

scientific article

Molecular dynamics: applications to proteins

article

Molecular mechanism of the synaptotagmin–SNARE interaction in Ca2+-triggered vesicle fusion

scientific article

Molecular switch for signal transduction: structural differences between active and inactive forms of protooncogenic ras proteins

scientific article

Morphologies of synaptic protein membrane fusion interfaces

scientific article published on 24 July 2017

Munc18a does not alter fusion rates mediated by neuronal SNAREs, synaptotagmin, and complexin

scientific article

Mutational analysis of synaptobrevin transmembrane domain oligomerization

scientific article

N-terminal domain of complexin independently activates calcium-triggered fusion

scientific article published on 21 July 2016

NSF and p97/VCP: similar at first, different at last

scientific article published on November 2003

NSF-mediated disassembly of on- and off-pathway SNARE complexes and inhibition by complexin

scientific article published on 09 July 2018

Native α-synuclein induces clustering of synaptic-vesicle mimics via binding to phospholipids and synaptobrevin-2/VAMP2

scientific article

Neurexins physically and functionally interact with GABA(A) receptors

scientific article

Neuroligin-1 performs neurexin-dependent and neurexin-independent functions in synapse validation

scientific article

Neuronal SNAREs do not trigger fusion between synthetic membranes but do promote PEG-mediated membrane fusion ⬇️

scientific article

New applications of simulated annealing in X-ray crystallography and solution NMR.

scientific article published on March 1997

New approaches to study macromolecular structure and function

scientific article published on 01 October 2000

New insights into clostridial neurotoxin-SNARE interactions

scientific article

New parameters for the refinement of nucleic acid-containing structures

scientific article

Nucleotide dependent motion and mechanism of action of p97/VCP

scientific article (publication date: 25 March 2005)

Phase improvement by cross-validated density modification

scientific article published on 01 November 1995

Phosphorylation of residues inside the SNARE complex suppresses secretory vesicle fusion

scientific article published on 11 July 2016

Polar residues drive association of polyleucine transmembrane helices

scholarly article

Polarizable atomic multipole X-ray refinement: application to peptide crystals

scientific article published on 14 August 2009

Polarizable atomic multipole x-ray refinement: hydration geometry and application to macromolecules

scientific article

Post-translational modifications and lipid binding profile of insect cell-expressed full-length mammalian synaptotagmin 1

scientific article published on 26 October 2011

Prefused lysosomes cluster on autophagosomes regulated by VAMP8

scientific article published on 13 October 2021

Processive ATP-driven substrate disassembly by the N-ethylmaleimide-sensitive factor (NSF) molecular machine

scientific article published on 17 June 2013

Proline cis-trans isomerization in staphylococcal nuclease: multi-substrate free energy perturbation calculations

scientific article

Properties of native brain α-synuclein

scientific article

Protein dynamics and distance determination by NOE measurements.

scientific article published in August 1988

Protein hydration observed by X-ray diffraction. Solvation properties of penicillopepsin and neuraminidase crystal structures.

scientific article published in October 1994

Quantitative imaging of lymphocyte membrane protein reorganization and signaling

scientific article

Rab and Arl GTPase family members cooperate in the localization of the golgin GCC185.

scientific article

Recent Advances in Deciphering the Structure and Molecular Mechanism of the AAA+ ATPase N-Ethylmaleimide-Sensitive Factor (NSF)

scientific article

Recent developments for crystallographic refinement of macromolecules

scientific article published on January 1996

Recent developments for the efficient crystallographic refinement of macromolecular structures

article

Receptor and substrate interactions of clostridial neurotoxins

scientific article published on 04 March 2009

Refinement of the solution structure of the DNA hexamer 5'd(GCATGC)2: combined use of nuclear magnetic resonance and restrained molecular dynamics

scientific article published on June 1987

Refractive index-based determination of detergent concentration and its application to the study of membrane proteins

scientific article published on August 2005

Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA Hydration

scientific article

Relaxation matrix refinement of the solution structure of squash trypsin inhibitor

scientific article

Resolving indexing ambiguities in X-ray free-electron laser diffraction patterns

article

Role of the -phosphate of ATP in triggering protein folding by GroEL-GroES: function, structure and energetics

scientific article

Sampling and efficiency of metric matrix distance geometry: a novel partial metrization algorithm.

scientific article published in January 1992

Simultaneous single-molecule epigenetic imaging of DNA methylation and hydroxymethylation

scientific article published on 28 March 2016

Single molecule observation of liposome-bilayer fusion thermally induced by soluble N-ethyl maleimide sensitive-factor attachment protein receptors (SNAREs)

scientific article

Single-molecule FRET-derived model of the synaptotagmin 1-SNARE fusion complex

scientific article

Single-molecule studies of SNARE complex assembly reveal parallel and antiparallel configurations

scientific article

Single-molecule studies of synaptotagmin and complexin binding to the SNARE complex

scientific article

Single-molecule studies of the neuronal SNARE fusion machinery

scientific article

Single-wavelength anomalous diffraction phasing revisited

scientific article published in November 2000

Solution conformation of a heptadecapeptide comprising the DNA binding helix F of the cyclic AMP receptor protein of Escherichia coli. Combined use of 1H nuclear magnetic resonance and restrained molecular dynamics.

scientific article published in November 1985

Solution conformations of human growth hormone releasing factor: comparison of the restrained molecular dynamics and distance geometry methods for a system without long-range distance data

scientific article

Solution of a Fab (26-10)/digoxin complex by generalized molecular replacement ⬇️

scientific article published on May 1, 1991

Solution of a protein crystal structure with a model obtained from NMR interproton distance restraints

scientific article

Statistical analysis of predicted transmembrane alpha-helices.

scientific article published in December 1998

Storing diffraction data

scientific article published in Nature

Structural Changes Are Associated with SolubleN-Ethylmaleimide-sensitive Fusion Protein Attachment Protein Receptor Complex Formation

scientific article published in Journal of Biological Chemistry

Structural and biochemical studies of botulinum neurotoxin serotype C1 light chain protease: implications for dual substrate specificity

scientific article

Structural and functional comparisons of nucleotide pyrophosphatase/phosphodiesterase and alkaline phosphatase: implications for mechanism and evolution

scientific article

Structural basis of FFAT motif-mediated ER targeting

scientific article

Structural basis of Rab effector specificity: crystal structure of the small G protein Rab3A complexed with the effector domain of rabphilin-3A

scientific article

Structural basis of the interaction between RalA and Sec5, a subunit of the sec6/8 complex

scientific article

Structural characterization of the intramolecular interaction between the SH3 and guanylate kinase domains of PSD-95

scientific article

Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle

scientific article published on 01 April 2022

Structural insights into the molecular mechanism of Ca(2+)-dependent exocytosis

scientific article

Structural insights into the molecular mechanism of calcium-dependent vesicle-membrane fusion

scientific article

Structural organization of the pentameric transmembrane alpha-helices of phospholamban, a cardiac ion channel

scientific article published on October 1994

Structural perspectives of phospholamban, a helical transmembrane pentamer

scientific article

Structural principles of SNARE complex recognition by the AAA+ protein NSF

scientific article published on 10 September 2018

Structure and function of SNARE and SNARE-interacting proteins

scientific article

Structure and function of the yeast U-box-containing ubiquitin ligase Ufd2p

scientific article

Structure of a human A-type potassium channel interacting protein DPPX, a member of the dipeptidyl aminopeptidase family

scientific article

Structure of photosystem II and substrate binding at room temperature.

scientific article

Structure of proteins involved in synaptic vesicle fusion in neurons

scientific article

Structure of the Transmembrane Cysteine Residues in Phospholamban

scientific article published on 01 February 1997

Structure refinement of oligonucleotides by molecular dynamics with nuclear Overhauser effect interproton distance restraints: application to 5' d(C-G-T-A-C-G)2.

scientific article

Structures of C1q-like proteins reveal unique features among the C1q/TNF superfamily

scientific article

Structures of neurexophilin-neurexin complexes reveal a regulatory mechanism of alternative splicing

scientific article published on 30 September 2019

Structures of neuroligin-1 and the neuroligin-1/neurexin-1 beta complex reveal specific protein-protein and protein-Ca2+ interactions

scientific article

Studying calcium-triggered vesicle fusion in a single vesicle-vesicle content and lipid-mixing system

scientific article

Studying protein-reconstituted proteoliposome fusion with content indicators in vitro

scientific article published on 29 April 2013

Substrate recognition strategy for botulinum neurotoxin serotype A.

scientific article

Successful prediction of the coiled coil geometry of the GCN4 leucine zipper domain by simulated annealing: Comparison to the X-ray structure

scientific article published on 01 February 1993

Super-resolution biomolecular crystallography with low-resolution data

scientific article (publication date: 22 April 2010)

Synaptic proteins promote calcium-triggered fast transition from point contact to full fusion

scientific article

The 1.0 A crystal structure of Ca(2+)-bound calmodulin: an analysis of disorder and implications for functionally relevant plasticity

scientific article

The ENTH domain

scientific article (publication date: 20 February 2002)

The direct rotation function: rotational Patterson correlation search applied to molecular replacement

scientific article published on 01 September 1995

The glycophorin A transmembrane domain dimer: Sequence-specific propensity for a right-handed supercoil of helixes

scientific article published on 01 December 1992

The longin SNARE VAMP7/TI-VAMP adopts a closed conformation

scientific article

The primed SNARE-complexin-synaptotagmin complex for neuronal exocytosis

scientific article published on 16 August 2017

The structure of the yeast plasma membrane SNARE complex reveals destabilizing water-filled cavities

scientific article

The three-dimensional structure of alpha1-purothionin in solution: combined use of nuclear magnetic resonance, distance geometry and restrained molecular dynamics

scientific article

Thermodynamics of protein-peptide interactions in the ribonuclease-S system studied by molecular dynamics and free energy calculations

scientific article published on September 15, 1992

Three-dimensional molecular modeling with single molecule FRET.

scientific article

Three-dimensional structure of an angiotensin II-Fab complex at 3 A: hormone recognition by an anti-idiotypic antibody

scientific article

Three-dimensional structure of proteins determined by molecular dynamics with interproton distance restraints: application to crambin

scientific article published on June 1986

Tools to assist determination and validation of carbohydrate 3D structure data

scientific article

Torsion-angle molecular dynamics as a new efficient tool for NMR structure calculation.

scientific article published in January 1997

Towards reconstitution of membrane fusion mediated by SNAREs and other synaptic proteins

scientific article

Transglutaminase 2 undergoes a large conformational change upon activation

scientific article published in December 2007

Transmembrane signal transduction of the alpha(IIb)beta(3) integrin

scientific article

Trypsinogen-trypsin transition: a molecular dynamics study of induced conformational change in the activation domain

article

Ultrahigh-resolution imaging reveals formation of neuronal SNARE/Munc18 complexes in situ

scientific article

Version 1.2 of the Crystallography and NMR system

scientific article (publication date: 2007)

Warren L. DeLano 21 June 1972-3 November 2009

scientific article

X-ray crystallography and NMR reveal complementary views of structure and dynamics

scientific article published on October 1997

X-ray refinement of protein structures by simulated annealing: test of the method on myohemerythrin

scientific article published on 01 June 1989

X-ray structure determination at low resolution

scientific article published on 20 January 2009

[Liver changes in salmon caused by aflatoxin B1]

scientific article published on 01 January 1983

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