List of works - Simon Newstead

A Computational Swiss Army Knife Approach to Unraveling the Secrets of Proton Movement through SERCA

scientific article published on 06 August 2020

A high-throughput method for membrane protein solubility screening: the ultracentrifugation dispersity sedimentation assay

scientific article published on 13 June 2007

A signal capture and proofreading mechanism for the KDEL-receptor explains selectivity and dynamic range in ER retrieval

A two-domain elevator mechanism for sodium/proton antiport

scientific article

Accurate Prediction of Ligand Affinities for a Proton-Dependent Oligopeptide Transporter.

scientific article published on 28 January 2016

Acute and repetitive fronto-cerebellar tDCS stimulation improves mood in non-depressed participants

scientific article published on 2 November 2017

Alternating access mechanism in the POT family of oligopeptide transporters

scientific article

Benchmarking membrane protein detergent stability for improving throughput of high-resolution X-ray structures

scientific article published on January 2011

Capsaicin interaction with TRPV1 channels in a lipid bilayer: molecular dynamics simulation

scientific article

Contribution of the active site aspartic acid to catalysis in the bacterial neuraminidase from Micromonospora viridifaciens

scientific article

Cork-in-Bottle Occlusion of Fluoride Ion Channels by Crystallization Chaperones.

scientific article published on 22 February 2018

Cryo-EM structure and resistance landscape of M. tuberculosis MmpL3: An emergent therapeutic target

scholarly article

Cryo-EM structure of PepT2 reveals structural basis for proton-coupled peptide and prodrug transport in mammals

scholarly article

Crystal Structures of the Extracellular Domain from PepT1 and PepT2 Provide Novel Insights into Mammalian Peptide Transport

scientific article

Crystal structure of a prokaryotic homologue of the mammalian oligopeptide-proton symporters, PepT1 and PepT2

scientific article

Crystal structures of a double-barrelled fluoride ion channel

scientific article (publication date: 24 September 2015)

Crystallization and atomic resolution X-ray diffraction of the catalytic domain of the large sialidase, nanI, from Clostridium perfringens.

scientific article

Current trends in α‐helical membrane protein crystallization: An update ⬇️

scientific article published on August 10, 2012

Dispatching Sonic: A Eukaryotic RND Family Protein in the Hedgehog Signaling Cascade

scientific article published on 01 November 2020

Engineering vanilloid-sensitivity into the rat TRPV2 channel

scientific article

GFP-based optimization scheme for the overexpression and purification of eukaryotic membrane proteins in Saccharomyces cerevisiae

scientific article published on January 2008

Gateway to the Golgi: molecular mechanisms of nucleotide sugar transporters

scientific article published on 15 April 2019

Gating topology of the proton-coupled oligopeptide symporters

scientific article published in February 2015

Generation of synthetic nanobodies against delicate proteins

scientific article published on 08 April 2020

High-throughput fluorescent-based optimization of eukaryotic membrane protein overexpression and purification in Saccharomyces cerevisiae

scholarly article

Insights into How Nucleotide-Binding Domains Power ABC Transport

scientific article

Insights into L-type heteromeric amino acid transporters

scientific article published on 01 June 2019

Insights into outer membrane protein crystallization.

scientific article

Interaction between KDELR2 and HSP47 as a Key Determinant in Osteogenesis Imperfecta Caused by Bi-allelic Variants in KDELR2

scientific article published on 09 October 2020

MemProtMD: Automated Insertion of Membrane Protein Structures into Explicit Lipid Membranes.

scientific article

Membrane Protein Crystallisation: Current Trends and Future Perspectives.

scientific article published on January 2016

Membrane protein structure determination - the next generation

scientific article

Method to increase the yield of eukaryotic membrane protein expression in Saccharomyces cerevisiae for structural and functional studies

scientific article published on 2 July 2014

Molecular basis for KDEL-mediated retrieval of escaped ER-resident proteins - SWEET talking the COPs

scientific article published on 09 October 2020

Molecular basis for redox control by the human cystine/glutamate antiporter system xc−

scientific article published on 08 December 2021

Molecular basis for redox control by the human cystine/glutamate antiporter system xc−

preprint

Molecular basis of nitrate uptake by the plant nitrate transporter NRT1.1

scientific article

Molecular insights into proton coupled peptide transport in the PTR family of oligopeptide transporters

scientific article

Overcoming barriers to membrane protein structure determination

scientific article

Patched 1 regulates Smoothened by controlling sterol binding to its extracellular cysteine-rich domain

scientific article published on 03 June 2022

Phasing statistics for alpha helical membrane protein structures.

scientific article published on 17 September 2013

Proton Control of Transitions in an Amino Acid Transporter

scientific article published on 26 August 2019

Proton movement and coupling in the POT family of peptide transporters

scientific article published on 27 November 2017

Rationalizing alpha-helical membrane protein crystallization

scientific article published on 24 January 2008

Recent advances in understanding prodrug transport through the SLC15 family of proton-coupled transporters

scientific article published on 27 March 2020

Recent advances in understanding proton coupled peptide transport via the POT family

scientific article

Stabilization of a metastable state of Torpedo californica acetylcholinesterase by chemical chaperones

scientific article published on October 2003

Structural basis for amino acid transport by the CAT family of SLC7 transporters

scientific article published on 7 February 2018

Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT

scientific article

Structural basis for pH-dependent retrieval of ER proteins from the Golgi by the KDEL receptor

scientific article

Structural basis for polyspecificity in the POT family of proton-coupled oligopeptide transporters

scientific article

Structural basis for prodrug recognition by the SLC15 family of proton-coupled peptide transporters

article published in the Proceedings of the National Academy of Sciences of the United States of America

Structural basis for proton coupled cystine transport by cystinosin

Structural basis for substrate specificity and regulation of nucleotide sugar transporters in the lipid bilayer

scientific article published on 11 October 2019

Structural basis of Smoothened regulation by its extracellular domains

scientific article

Structural basis of antifolate recognition and transport by PCFT

scholarly article

Structural basis of malodour precursor transport in the human axilla

Structural basis of nucleotide sugar transport across the Golgi membrane.

scientific article published on 15 November 2017

Structure and mechanism of action of an inverting mutant sialidase

scientific article published in June 2005

Symmetry and Structure in the POT Family of Proton Coupled Peptide Transporters

The KDEL trafficking receptor exploits pH to tune the strength of an unusual short hydrogen bond

scientific article published on 09 October 2020

The Paracoccus denitrificans NarK-like nitrate and nitrite transporters-probing nitrate uptake and nitrate/nitrite exchange mechanisms

scientific article published on 03 October 2016

The Structure of Clostridium perfringens NanI Sialidase and Its Catalytic Intermediates

scientific article

The structure of the efflux pump AcrB in complex with bile acid

scientific article

Thermodynamic evidence for a dual transport mechanism in a POT peptide transporter

scientific article

Towards a structural understanding of drug and peptide transport within the proton-dependent oligopeptide transporter (POT) family ⬇️

scientific article published on October 1, 2011

Tricks of the trade used to accelerate high-resolution structure determination of membrane proteins

scientific article published on 13 April 2010

Two Nucleophilic Mutants of the Micromonospora viridifaciens Sialidase Operate with Retention of Configuration by Two Different Mechanisms

scientific article published on 01 November 2005

List of works by Simon Newstead

A Computational Swiss Army Knife Approach to Unraveling the Secrets of Proton Movement through SERCA

A high-throughput method for membrane protein solubility screening: the ultracentrifugation dispersity sedimentation assay

A signal capture and proofreading mechanism for the KDEL-receptor explains selectivity and dynamic range in ER retrieval

A two-domain elevator mechanism for sodium/proton antiport

Accurate Prediction of Ligand Affinities for a Proton-Dependent Oligopeptide Transporter.

Acute and repetitive fronto-cerebellar tDCS stimulation improves mood in non-depressed participants

Alternating access mechanism in the POT family of oligopeptide transporters

Benchmarking membrane protein detergent stability for improving throughput of high-resolution X-ray structures

Capsaicin interaction with TRPV1 channels in a lipid bilayer: molecular dynamics simulation

Contribution of the active site aspartic acid to catalysis in the bacterial neuraminidase from Micromonospora viridifaciens

Cork-in-Bottle Occlusion of Fluoride Ion Channels by Crystallization Chaperones.

Cryo-EM structure and resistance landscape of M. tuberculosis MmpL3: An emergent therapeutic target

Cryo-EM structure of PepT2 reveals structural basis for proton-coupled peptide and prodrug transport in mammals

Crystal Structures of the Extracellular Domain from PepT1 and PepT2 Provide Novel Insights into Mammalian Peptide Transport

Crystal structure of a prokaryotic homologue of the mammalian oligopeptide-proton symporters, PepT1 and PepT2

Crystal structures of a double-barrelled fluoride ion channel

Crystallization and atomic resolution X-ray diffraction of the catalytic domain of the large sialidase, nanI, from Clostridium perfringens.

Current trends in α‐helical membrane protein crystallization: An update ⬇️

Dispatching Sonic: A Eukaryotic RND Family Protein in the Hedgehog Signaling Cascade

Engineering vanilloid-sensitivity into the rat TRPV2 channel

GFP-based optimization scheme for the overexpression and purification of eukaryotic membrane proteins in Saccharomyces cerevisiae

Gateway to the Golgi: molecular mechanisms of nucleotide sugar transporters

Gating topology of the proton-coupled oligopeptide symporters

Generation of synthetic nanobodies against delicate proteins

High-throughput fluorescent-based optimization of eukaryotic membrane protein overexpression and purification in Saccharomyces cerevisiae

Insights into How Nucleotide-Binding Domains Power ABC Transport

Insights into L-type heteromeric amino acid transporters

Insights into outer membrane protein crystallization.

Interaction between KDELR2 and HSP47 as a Key Determinant in Osteogenesis Imperfecta Caused by Bi-allelic Variants in KDELR2

MemProtMD: Automated Insertion of Membrane Protein Structures into Explicit Lipid Membranes.

Membrane Protein Crystallisation: Current Trends and Future Perspectives.

Membrane protein structure determination - the next generation

Method to increase the yield of eukaryotic membrane protein expression in Saccharomyces cerevisiae for structural and functional studies

Molecular basis for KDEL-mediated retrieval of escaped ER-resident proteins - SWEET talking the COPs

Molecular basis for redox control by the human cystine/glutamate antiporter system xc−

Molecular basis for redox control by the human cystine/glutamate antiporter system xc−

Molecular basis of nitrate uptake by the plant nitrate transporter NRT1.1

Molecular insights into proton coupled peptide transport in the PTR family of oligopeptide transporters

Overcoming barriers to membrane protein structure determination

Patched 1 regulates Smoothened by controlling sterol binding to its extracellular cysteine-rich domain

Phasing statistics for alpha helical membrane protein structures.

Proton Control of Transitions in an Amino Acid Transporter

Proton movement and coupling in the POT family of peptide transporters

Rationalizing alpha-helical membrane protein crystallization

Recent advances in understanding prodrug transport through the SLC15 family of proton-coupled transporters

Recent advances in understanding proton coupled peptide transport via the POT family

Stabilization of a metastable state of Torpedo californica acetylcholinesterase by chemical chaperones

Structural basis for amino acid transport by the CAT family of SLC7 transporters

Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT

Structural basis for pH-dependent retrieval of ER proteins from the Golgi by the KDEL receptor

Structural basis for polyspecificity in the POT family of proton-coupled oligopeptide transporters

Structural basis for prodrug recognition by the SLC15 family of proton-coupled peptide transporters

Structural basis for proton coupled cystine transport by cystinosin

Structural basis for substrate specificity and regulation of nucleotide sugar transporters in the lipid bilayer

Structural basis of Smoothened regulation by its extracellular domains

Structural basis of antifolate recognition and transport by PCFT

Structural basis of malodour precursor transport in the human axilla

Structural basis of nucleotide sugar transport across the Golgi membrane.

Structure and mechanism of action of an inverting mutant sialidase

Symmetry and Structure in the POT Family of Proton Coupled Peptide Transporters

The KDEL trafficking receptor exploits pH to tune the strength of an unusual short hydrogen bond

The Paracoccus denitrificans NarK-like nitrate and nitrite transporters-probing nitrate uptake and nitrate/nitrite exchange mechanisms

The Structure of Clostridium perfringens NanI Sialidase and Its Catalytic Intermediates

The structure of the efflux pump AcrB in complex with bile acid

Thermodynamic evidence for a dual transport mechanism in a POT peptide transporter

Towards a structural understanding of drug and peptide transport within the proton-dependent oligopeptide transporter (POT) family ⬇️

Tricks of the trade used to accelerate high-resolution structure determination of membrane proteins

Two Nucleophilic Mutants of the Micromonospora viridifaciens Sialidase Operate with Retention of Configuration by Two Different Mechanisms