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List of works by Ashley Buckle

A Comprehensive Phylogenetic Analysis of the Serpin Superfamily

scientific article published on 01 June 2021

A colostrum trypsin inhibitor gene expressed in the Cape fur seal mammary gland during lactation

scientific article published on 27 November 2015

A common fold mediates vertebrate defense and bacterial attack

scientific article

A structural basis for loop C-sheet polymerization in serpins

scientific article

A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase

scientific article

A structural model for GroEL-polypeptide recognition

scientific article

ARCHER – An Enabler of Research Data Management

ARCHER – e-Research Tools for Research Data Management

An Analysis of the Cross-Reactivity of Autoantibodies to GAD65 and GAD67 in Diabetes ⬇️

scientific article published on April 8, 2011

An overview of the serpin superfamily

scientific article

CLIMS: Crystallography Laboratory Information Management System

scientific article published on 26 August 2004

COOH-Terminal Clustering of Autoantibody and T-Cell Determinants on the Structure of GAD65 Provide Insights Into the Molecular Basis of Autoreactivity

scientific article published on 09 January 2008

Catalytic diversity and cell wall binding repeats in the phage-encoded endolysins

scientific article published on 13 November 2018

Chiminey: Reliable Computing and Data Management Platform in the Cloud

Circumventing the stability-function trade-off in an engineered FN3 domain

scientific article published on 29 August 2016

Cofactor-dependent conformational heterogeneity of GAD65 and its role in autoimmunity and neurotransmitter homeostasis

scientific article

Computational Methods for Studying Serpin Conformational Change and Structural Plasticity

scientific article published on 01 January 2011

Conformational Properties of the Disease-Causing Z Variant of α1-Antitrypsin Revealed by Theory and Experiment ⬇️

scientific article published on June 19, 2012

Consensus protein design

scientific article

Control of the coagulation system by serpins. Getting by with a little help from glycosaminoglycans

scientific article

Critical evaluation of in silico methods for prediction of coiled-coil domains in proteins.

scientific article published on 15 July 2015

Crystal structure of the inhibitor-free form of the serine protease kallikrein-4

scientific article published on 16 July 2019

Crystal, Solution and In silico Structural Studies of Dihydrodipicolinate Synthase from the Common Grapevine

scientific article

Crystallization and preliminary crystallographic studies of a SAM domain at the C-terminus of human p73α

scientific article published on 01 June 2000

Crystallographic and Molecular Dynamics Analysis of Loop Motions Unmasking the Peptidoglycan-Binding Site in Stator Protein MotB of Flagellar Motor

scientific article

Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity

scientific article published on 18 September 2019

Design of highly stable functional GroEL minichaperones.

scientific article

Development and Differentiation in Monobodies Based on the Fibronectin Type 3 Domain

scientific article published on 04 March 2020

Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics

scientific article

Dynamic Motion and Communication in the Streptococcal C1 Phage Lysin, PlyC

scientific article (publication date: 2015)

EGM: encapsulated gene-by-gene matching to identify gene orthologs and homologous segments in genomes

scientific article published on 27 June 2010

Energetic and structural analysis of the role of tryptophan 59 in FKBP12

scientific article (publication date: 4 March 2003)

Enoxaparin augments alpha-1-antitrypsin inhibition of TMPRSS2, a promising drug combination against COVID-19

scientific article published on 25 March 2022

Epitope flexibility and dynamic footprint revealed by molecular dynamics of a pMHC-TCR complex

scientific article

Federated repositories of X-ray diffraction images

scientific article

From minichaperone to GroEL 1: information on GroEL-polypeptide interactions from crystal packing of minichaperones.

scientific article

GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop

scientific article

Generation of AMBER force field parameters for zinc centres of M1 and M17 family aminopeptidases

scientific article

Genetic variation affecting DNA methylation and the human imprinting disorder, Beckwith-Wiedemann syndrome

scientific article published on 30 August 2018

High-throughput protein structure determination using grid computing

How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state

scientific article

Hybrid approaches to molecular simulation ⬇️

scientific article published on May 25, 2012

Identification of the primary collagen-binding surface on human glycoprotein VI by site-directed mutagenesis and by a blocking phage antibody

scientific article published on 22 September 2003

Impact of HLA-DR Antigen Binding Cleft Rigidity on T Cell Recognition

scientific article published on 25 September 2020

Integrating Experiment and Theory to Understand TCR-pMHC Dynamics

article

Interactive visualization tools for the structural biologist

scientific article published on 03 August 2013

Intrinsic limitations in mainstream methods of identifying network motifs in biology

scientific article published on 29 April 2020

KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors

scientific article published on 13 May 2019

KinetochoreDB: a comprehensive online resource for the kinetochore and its related proteins.

scientific article published on 17 March 2016

Laboratory evolution of protein conformational dynamics.

scientific article published on 7 November 2017

Loss of a metal-binding site in gelsolin leads to familial amyloidosis-Finnish type

scientific article

MUSTANG-MR structural sieving server: applications in protein structural analysis and crystallography

scientific article

Managing and mining protein crystallization data.

scientific article

Mapping the pathway and dynamics of bestatin inhibition of the Plasmodium falciparum M1 aminopeptidase, PfA-M1

article

Mastering the canonical loop of serine protease inhibitors: enhancing potency by optimising the internal hydrogen bond network

scientific article (publication date: 27 April 2011)

Mechanism-based selection of a potent kallikrein-related peptidase 7 inhibitor from a versatile library based on the sunflower trypsin inhibitor SFTI-1

scientific article published on 01 September 2013

Membrane proteins of Pseudoalteromonas tunicata during the transition from planktonic to extracellular matrix-adherent state

scientific article published on 21 March 2011

Modelling of Thyroid Peroxidase Reveals Insights into Its Enzyme Function and Autoantigenicity

scientific article published in December 2015

Molecular determinants of the substrate specificity of the complement-initiating protease, C1r.

scientific article

MrGrid: a portable grid based molecular replacement pipeline

scientific article

Operation of the Australian Store.Synchrotron for macromolecular crystallography

scientific article

Oxidation of an exposed methionine instigates the aggregation of glyceraldehyde-3-phosphate dehydrogenase.

scientific article

PLP-dependent enzymes

scientific article published on 15 January 2014

PolyQ 2.0: an improved version of PolyQ, a database of human polyglutamine proteins

scientific article published on 15 March 2016

PolyQ 2.0: an improved version of PolyQ, a database of human polyglutamine proteins

scientific article published on 17 May 2016

PolyQ: a database describing the sequence and domain context of polyglutamine repeats in proteins ⬇️

scientific article published on November 8, 2010

Potent, multi-target serine protease inhibition achieved by a simplified β-sheet motif

scientific article published in PLoS ONE

Previously Hidden Dynamics at the TCR-Peptide-MHC Interface Revealed.

scientific article

Previously Hidden Dynamics at the TCR-pMHC Interface Revealed

Prodepth: predict residue depth by support vector regression approach from protein sequences only

scientific article

Prostate Cancer Risk-Associated Single-Nucleotide Polymorphism Affects Prostate-Specific Antigen Glycosylation and Its Function

scientific article published on 11 December 2018

Protein Folding Database (PFD 2.0): an online environment for the International Foldeomics Consortium.

scientific article published on 14 December 2006

REFOLD: an analytical database of protein refolding methods

scientific article published on 15 August 2005

REFOLDdb: a new and sustainable gateway to experimental protocols for protein refolding

scientific article

Reactive centre loop dynamics and serpin specificity

scientific article published on 07 March 2019

Recognition by host nuclear transport proteins drives disorder-to-order transition in Hendra virus V.

scientific article published on 10 January 2018

Recombinant protein quality evaluation: proposal for a minimal information standard

scientific article (publication date: 30 November 2011)

Refolding Your Protein with a Little Help from REFOLD

scientific article published on 01 January 2011

Refolding chromatography with immobilized mini-chaperones

scientific article

Scabies mite inactivated serine protease paralogs inhibit the human complement system.

scientific article published in June 2009

Serpins in Prokaryotes

Smoothing a rugged protein folding landscape by sequence-based redesign

scientific article published on 26 September 2016

Solution structure of a soluble fragment derived from a membrane protein by shotgun proteolysis

scientific article

Stability and function: two constraints in the evolution of barstar and other proteins

scientific article published on 01 October 1994

Structural Studies of Thyroid Peroxidase Show the Monomer Interacting With Autoantibodies in Thyroid Autoimmune Disease

scientific article published on 01 February 2020

Structural and Dynamic Requirements for Optimal Activity of the Essential Bacterial Enzyme Dihydrodipicolinate Synthase ⬇️

scientific article (publication date: 2012)

Structural and dynamic properties that govern the stability of an engineered fibronectin type III domain

scientific article

Structural basis for the inhibition of the essential Plasmodium falciparum M1 neutral aminopeptidase

scientific article

Structural characterization of the mechanism through which human glutamic acid decarboxylase auto-activates

scientific article

Structural determinants of GAD antigenicity

scientific article published on 23 September 2009

Structural mechanisms of inactivation in scabies mite serine protease paralogues

scientific article

Structural reconstruction of protein ancestry

scientific article

Structure of granzyme C reveals an unusual mechanism of protease autoinhibition

scientific article

Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases

scientific article

Subsite binding in an RNase: structure of a barnase-tetranucleotide complex at 1.76-A resolution

scientific article

Substrate Locking Promotes Dimer-Dimer Docking of an Enzyme Antibiotic Target

scientific article published on 24 May 2018

Substrate-guided design of a potent and selective kallikrein-related peptidase inhibitor for kallikrein 4.

scientific article

T cell receptor recognition of a 'super-bulged' major histocompatibility complex class I-bound peptide

scientific article published on 25 September 2005

The 1.6 A crystal structure of the catalytic domain of PlyB, a bacteriophage lysin active against Bacillus anthracis

scientific article

The 2.1A crystal structure of the far-red fluorescent protein HcRed: inherent conformational flexibility of the chromophore

scientific article published on 22 March 2005

The MACPF/CDC family of pore-forming toxins

scientific article

The N terminus of the serpin, tengpin, functions to trap the metastable native state

scientific article

The Pu.1 target gene Zbtb11 regulates neutrophil development through its integrase-like HHCC zinc finger.

scientific article published on 06 April 2017

The REFOLD database: a tool for the optimization of protein expression and refolding

scientific article

The Rate of PolyQ-Mediated Aggregation Is Dramatically Affected by the Number and Location of Surrounding Domains

scientific article published on 16 September 2011

The Role of Conformational Dynamics in Abacavir-Induced Hypersensitivity Syndrome

The Role of Conformational Dynamics in Abacavir-Induced Hypersensitivity Syndrome

scientific article published on 19 July 2019

The X-Ray Crystal Structure of Escherichia coli Succinic Semialdehyde Dehydrogenase; Structural Insights into NADP+/Enzyme Interactions

scientific article

The binding of bis-ANS to the isolated GroEL apical domain fragment induces the formation of a folding intermediate with increased hydrophobic surface not observed in tetradecameric GroEL.

scientific article published in April 2001

The crystal structure of AF1521 a protein from Archaeoglobus fulgidus with homology to the non-histone domain of macroH2A

scientific article

The crystal structure of the transthyretin-like protein from Salmonella dublin, a prokaryote 5-hydroxyisourate hydrolase.

scientific article published on 11 May 2006

The high resolution crystal structure of a native thermostable serpin reveals the complex mechanism underpinning the stressed to relaxed transition

scientific article

The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix

scientific article

The matrix refolded

article

The propeptide of human thyroid peroxidase is not required for its cellular, enzymatic or immunological activity

scholarly article by Marlena Godlewska et al published 2013 in Thyroid Research

The role of protein dynamics in the evolution of new enzyme function

scientific article

The α-importome of mammalian germ cell maturation provides novel insights for importin biology.

scientific article published on 30 April 2014

Thyroid Peroxidase Revisited - What's New?

scientific article published on 11 December 2019

Thyroid Peroxidase as an Autoantigen in Hashimoto's Disease: Structure, Function, and Antigenicity

scientific article published on 25 October 2018

Understanding the structural dynamics of TCR-pMHC complex interactions.

scientific article published on 11 November 2014

Wavelength-Dependent Fluorescent Immunosensors via Incorporation of Polarity Indicators near the Binding Interface of Antibody Fragments

scientific article published on 05 June 2019

X-ray crystal structure of MENT: evidence for functional loop-sheet polymers in chromatin condensation

scientific article

X-ray crystal structure of the fibrinolysis inhibitor alpha2-antiplasmin

scientific article

X-ray crystal structure of the streptococcal specific phage lysin PlyC. ⬇️

scientific article

Yersinia enterocolitica provides the link between thyroid-stimulating antibodies and their germline counterparts in Graves' disease

scientific article published on 29 April 2013

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