List of works - Nikolaos G Sgourakis

31st Annual Meeting and Associated Programs of the Society for Immunotherapy of Cancer (SITC 2016): part one

scientific article (publication date: November 2016)

A Novel MHC-I Surface Targeted for Binding by the MCMV m06 Immunoevasin Revealed by Solution NMR.

scientific article

A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.

scientific article published on 30 January 2018

A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta

scientific article published on 19 December 2014

A method for the prediction of GPCRs coupling specificity to G-proteins using refined profile Hidden Markov Models

scientific article

A refined model of the prototypical Salmonella SPI-1 T3SS basal body reveals the molecular basis for its assembly

scientific article (publication date: 2013)

Accurate protein structure modeling using sparse NMR data and homologous structure information

scientific article

An allosteric site in the T-cell receptor Cβ domain plays a critical signalling role.

scientific article

An order-to-disorder structural switch activates the FoxM1 transcription factor

scientific article published on 28 May 2019

Atomic model of the type III secretion system needle

scientific article

Atomic-Level Characterization of the Ensemble of the Aβ(1–42) Monomer in Water Using Unbiased Molecular Dynamics Simulations and Spectral Algorithms ⬇️

scientific article published on November 5, 2010

Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra

scientific article published on 26 January 2018

CS-ROSETTA

scientific article published on 11 September 2018

Chemical shift-based methods in NMR structure determination

scientific article published on 11 March 2018

Computational Methods for the Prediction of GPCRs Coupling Selectivity

Computational design of closely related proteins that adopt two well-defined but structurally divergent folds

scientific article published on 18 March 2020

Conformational Dynamics and Structural Plasticity Play Critical Roles in the Ubiquitin Recognition of a UIM Domain

scientific article

Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs

scientific article published on 03 November 2021

De novo design of a homo-trimeric amantadine-binding protein

scientific article published on 19 December 2019

De novo design of a non-local β-sheet protein with high stability and accuracy

scientific article published on 29 October 2018

Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples

scientific article

Determination of the structures of symmetric protein oligomers from NMR chemical shifts and residual dipolar couplings

scientific article

Discriminating early stage A{beta}42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study

scientific article

Dynamics Mediate Substrate Recognition and Remote Communication in a Peptide-Bond Forming NRPS Cyclization Domain

scholarly article

Experimental Test of the Thermodynamic Model of Protein Cooperativity Using Temperature-Induced Unfolding of a Ubq−UIM Fusion Protein ⬇️

scientific article published on September 13, 2010

Filamentous Bacteriophage Viruses: Preparation, Magic-Angle Spinning Solid-State NMR Experiments, and Structure Determination

scientific article published in January 2018

High throughput pMHC-I tetramer library production using chaperone-mediated peptide exchange

scientific article published on 20 April 2020

High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy

scientific article

Interleukin-2 druggability is modulated by global conformational transitions controlled by a helical capping switch

scientific article published on 17 March 2020

Macromolecular modeling and design in Rosetta: recent methods and frameworks

scientific article published on 01 June 2020

Modeling an in-register, parallel "iowa" aβ fibril structure using solid-state NMR data from labeled samples with rosetta

scientific article

Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection

scientific article published on 03 December 2019

NMR structure determination of Ixolaris and Factor X interaction reveals a noncanonical mechanism of Kunitz inhibition

scientific article published on 27 May 2019

Nearest-neighbor NMR spectroscopy: categorizing spectral peaks by their adjacent nuclei

scientific article published on 03 November 2020

Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle

scientific article published on 09 July 2018

Prediction of the coupling specificity of GPCRs to four families of G-proteins using hidden Markov models and artificial neural networks

scientific article published on 20 September 2005

Pressure effects on the ensemble dynamics of ubiquitin inspected with molecular dynamics simulations and isotropic reorientational eigenmode dynamics

scientific article published on 11 July 2008

Production of soluble pMHC-I molecules in mammalian cells using the molecular chaperone TAPBPR

scientific article published on 01 December 2019

Programmable design of orthogonal protein heterodimers

scientific article published on 19 December 2018

Structure-based modeling of SARS-CoV-2 peptide/HLA-A02 antigens

scientific article (preprint)

The Alzheimer's peptides Abeta40 and 42 adopt distinct conformations in water: a combined MD / NMR study

scientific article

The NMR-Rosetta capsid model of M13 bacteriophage reveals a quadrupled hydrophobic packing epitope

scientific article

The Role of Molecular Flexibility in Antigen Presentation and T Cell Receptor-Mediated Signaling

The common structural architecture of Shigella flexneri and Salmonella typhimurium type three secretion needles

scientific article

The membrane complex between transducin and dark-state rhodopsin exhibits large-amplitude interface dynamics on the sub-microsecond timescale: insights from all-atom MD simulations

scientific article published on 23 February 2010

The modular structure of the inner-membrane ring component PrgK facilitates assembly of the type III secretion system basal body

scientific article

The structure of mouse cytomegalovirus m04 protein obtained from sparse NMR data reveals a conserved fold of the m02-m06 viral immune modulator family

scientific article

Type IV pilus: one architectural problem, many structural solutions

scientific article published on 01 February 2015

Xeno interactions between MHC-I proteins and molecular chaperones enable ligand exchange on a broad repertoire of HLA allotypes

scholarly article

List of works by Nikolaos G Sgourakis

31st Annual Meeting and Associated Programs of the Society for Immunotherapy of Cancer (SITC 2016): part one

A Novel MHC-I Surface Targeted for Binding by the MCMV m06 Immunoevasin Revealed by Solution NMR.

A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.

A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta

A method for the prediction of GPCRs coupling specificity to G-proteins using refined profile Hidden Markov Models

A refined model of the prototypical Salmonella SPI-1 T3SS basal body reveals the molecular basis for its assembly

Accurate protein structure modeling using sparse NMR data and homologous structure information

An allosteric site in the T-cell receptor Cβ domain plays a critical signalling role.

An order-to-disorder structural switch activates the FoxM1 transcription factor

Atomic model of the type III secretion system needle

Atomic-Level Characterization of the Ensemble of the Aβ(1–42) Monomer in Water Using Unbiased Molecular Dynamics Simulations and Spectral Algorithms ⬇️

Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra

CS-ROSETTA

Chemical shift-based methods in NMR structure determination

Computational Methods for the Prediction of GPCRs Coupling Selectivity

Computational design of closely related proteins that adopt two well-defined but structurally divergent folds

Conformational Dynamics and Structural Plasticity Play Critical Roles in the Ubiquitin Recognition of a UIM Domain

Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs

De novo design of a homo-trimeric amantadine-binding protein

De novo design of a non-local β-sheet protein with high stability and accuracy

Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples

Determination of the structures of symmetric protein oligomers from NMR chemical shifts and residual dipolar couplings

Discriminating early stage A{beta}42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study

Dynamics Mediate Substrate Recognition and Remote Communication in a Peptide-Bond Forming NRPS Cyclization Domain

Experimental Test of the Thermodynamic Model of Protein Cooperativity Using Temperature-Induced Unfolding of a Ubq−UIM Fusion Protein ⬇️

Filamentous Bacteriophage Viruses: Preparation, Magic-Angle Spinning Solid-State NMR Experiments, and Structure Determination

High throughput pMHC-I tetramer library production using chaperone-mediated peptide exchange

High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy

Interleukin-2 druggability is modulated by global conformational transitions controlled by a helical capping switch

Macromolecular modeling and design in Rosetta: recent methods and frameworks

Modeling an in-register, parallel "iowa" aβ fibril structure using solid-state NMR data from labeled samples with rosetta

Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection

NMR structure determination of Ixolaris and Factor X interaction reveals a noncanonical mechanism of Kunitz inhibition

Nearest-neighbor NMR spectroscopy: categorizing spectral peaks by their adjacent nuclei

Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle

Prediction of the coupling specificity of GPCRs to four families of G-proteins using hidden Markov models and artificial neural networks

Pressure effects on the ensemble dynamics of ubiquitin inspected with molecular dynamics simulations and isotropic reorientational eigenmode dynamics

Production of soluble pMHC-I molecules in mammalian cells using the molecular chaperone TAPBPR

Programmable design of orthogonal protein heterodimers

Structure-based modeling of SARS-CoV-2 peptide/HLA-A02 antigens

The Alzheimer's peptides Abeta40 and 42 adopt distinct conformations in water: a combined MD / NMR study

The NMR-Rosetta capsid model of M13 bacteriophage reveals a quadrupled hydrophobic packing epitope

The Role of Molecular Flexibility in Antigen Presentation and T Cell Receptor-Mediated Signaling

The common structural architecture of Shigella flexneri and Salmonella typhimurium type three secretion needles

The membrane complex between transducin and dark-state rhodopsin exhibits large-amplitude interface dynamics on the sub-microsecond timescale: insights from all-atom MD simulations

The modular structure of the inner-membrane ring component PrgK facilitates assembly of the type III secretion system basal body

The structure of mouse cytomegalovirus m04 protein obtained from sparse NMR data reveals a conserved fold of the m02-m06 viral immune modulator family

Type IV pilus: one architectural problem, many structural solutions

Xeno interactions between MHC-I proteins and molecular chaperones enable ligand exchange on a broad repertoire of HLA allotypes