List of works - Marco Fragai

"Four-dimensional" protein structures: examples from metalloproteins.

scientific article

(1)H-detected solid-state NMR of proteins entrapped in bioinspired silica: a new tool for biomaterials characterization

scientific article published on 9 June 2016

A Calix[4]arene GdIII Complex Endowed with High Stability, Relaxivity, and Binding Affinity to Serum Albumin

scholarly article by Silvio Aime et al published 17 December 2001 in Angewandte Chemie International Edition

A Divalent PAMAM-Based Matrix Metalloproteinase/Carbonic Anhydrase Inhibitor for the Treatment of Dry Eye Syndrome

scientific article published on 22 December 2015

A High-Affinity Carbohydrate-Containing Inhibitor of Matrix Metalloproteinases

scientific article published on 01 June 2006

A new methodology for monitoring the activity of cdMMP-12 anchored and freeze-dried on Au (111)

scientific article published on 23 March 2007

A paramagnetic probe to localize residues next to carboxylates on protein surfaces

scientific article published on 14 February 2002

A small heterobifunctional ligand provides stable and water dispersible core–shell CdSe/ZnS quantum dots (QDs)

scientific article published on 01 November 2018

Activity of anchored human matrix metalloproteinase-1 catalytic domain on Au (111) surfaces monitored by ESI-MS.

scientific article published in December 2005

Aggregation kinetics of the Aβ1-40 peptide monitored by NMR

scientific article published on 16 May 2018

Algal autolysate medium to label proteins for NMR in mammalian cells

scientific article published on 22 April 2016

Atomic structural details of a protein grafted onto gold nanoparticles.

scientific article published on 20 December 2017

Atomic-Level Quality Assessment of Enzymes Encapsulated in Bioinspired Silica.

scientific article published on 2 December 2015

Bilayer Membrane Modulation of Membrane Type 1 Matrix Metalloproteinase (MT1-MMP) Structure and Proteolytic Activity.

scientific article published on 13 July 2016

Biosilica-Entrapped Enzymes Studied by Using Dynamic Nuclear-Polarization-Enhanced High-Field NMR Spectroscopy

scientific article published on 12 August 2015

Biotin-tagged probes for MMP expression and activation: design, synthesis, and binding properties

scientific article

Characterisation of the MMP-12-Elastin Adduct

scientific article published on 01 August 2009

Characterization of PEGylated Asparaginase: New Opportunities from NMR Analysis of Large PEGylated Therapeutics

scientific article published on 09 January 2019

Characterization of the Conjugation Pattern in Large Polysaccharide-Protein Conjugates by NMR Spectroscopy.

scientific article published on 10 October 2017

Combining in silico tools and NMR data to validate protein-ligand structural models: application to matrix metalloproteinases

scientific article

Computer-Aided Identification and Lead Optimization of Dual Murine Double Minute 2 and 4 Binders: Structure-Activity Relationship Studies and Pharmacological Activity

scientific article published on 18 September 2017

Conformational freedom of metalloproteins revealed by paramagnetism-assisted NMR

Conformational variability of matrix metalloproteinases: beyond a single 3D structure

scientific article

Design in silico, synthesis and binding evaluation of a carbohydrate-based scaffold for structurally novel inhibitors of matrix metalloproteinases

scientific article published on 01 August 2005

Differences in Dynamics between Crosslinked and Non-Crosslinked Hyaluronates Measured by using Fast Field-Cycling Relaxometry

scientific article

Discovery of a New Class of Potent MMP Inhibitors by Structure-Based Optimization of the Arylsulfonamide Scaffold

scientific article

Dissecting the Interactions between Human Serum Albumin and α-Synuclein: New Insights on the Factors Influencing α-Synuclein Aggregation in Biological Fluids

scientific article published on 09 May 2019

Entropic contribution to the linking coefficient in fragment based drug design: a case study

scientific article

Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12

scientific article

Examination of matrix metalloproteinase-1 in solution: a preference for the pre-collagenolysis state.

scientific article published on 11 September 2013

Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding

article

Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases

scientific article

Functionalized Hyaluronic Acid for “<i>In Situ</i>” Matrix Metalloproteinase Inhibition: A Bioactive Material to Treat the Dry Eye Sydrome

scientific article published in 2022

G-triplex structure and formation propensity

scientific article

HTS by NMR for the Identification of Potent and Selective Inhibitors of Metalloenzymes.

scientific article published on 17 January 2018

High-Resolution Solid-State NMR Characterization of Ligand Binding to a Protein Immobilized in a Silica Matrix.

scientific article published in August 2017

How Do Nuclei Couple to the Magnetic Moment of a Paramagnetic Center? A New Theory at the Gauntlet of the Experiments

scientific article published on 15 June 2019

In situ AP/MALDI-MS characterization of anchored matrix metalloproteinases

scientific article

Insights into domain-domain motions in proteins and RNA from solution NMR

scientific article

Interdomain flexibility in full-length matrix metalloproteinase-1 (MMP-1).

scientific article published on 12 March 2009

Interfering with HuR-RNA Interaction: Design, Synthesis and Biological Characterization of Tanshinone Mimics as Novel, Effective HuR Inhibitors

scientific article published on 9 January 2018

Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation

scientific article published on 26 October 2020

Intra- and interdomain flexibility in matrix metalloproteinases: functional aspects and drug design

scientific article published on January 2009

Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).

scientific article

Long-range paramagnetic NMR data can provide a closer look on metal coordination in metalloproteins.

scientific article published on 7 December 2017

Mechanism and Inhibition of Matrix Metalloproteinases.

scientific article published on 26 March 2018

Metal centers in biomolecular solid-state NMR

scientific article published on 28 November 2018

Methyl group assignment using pseudocontact shifts with PARAssign ⬇️

scientific article published on 27 November 2017

Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies

scientific article

NMR characterization of the C-terminal tail of full-length RAGE in a membrane mimicking environment

scientific article published on 22 September 2012

NMR of sedimented, fibrillized, silica-entrapped and microcrystalline (metallo)proteins

scientific article

NMR-based techniques in the hit identification and optimisation processes

scientific article

Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?

scientific article published on 23 November 2018

Paramagnetic Properties of a Crystalline Iron-Sulfur Protein by Magic-Angle Spinning NMR Spectroscopy

scientific article

Paramagnetic metal ions in ligand screening: the Co(II) matrix metalloproteinase 12.

scientific article published in April 2004

Persistent contrast enhancement by sterically stabilized paramagnetic liposomes in murine melanoma

scientific article published on 01 September 2004

Practical considerations over spectral quality in solid state NMR spectroscopy of soluble proteins

scientific article published on 30 August 2013

Probing the interaction of distamycin A with S100β: the “unexpected” ability of S100β to bind to DNA-binding ligands

scholarly article by Linda Cerofolini published in February 2015

Protein Glycosylation through Sulfur Fluoride Exchange (SuFEx) Chemistry: The Key Role of a Fluorosulfate Thiolactoside

scientific article published on 26 November 2018

Quantum Dot-Based Probes for Labeling and Imaging of Cells that Express Matrix Metalloproteinases

scientific article published on 23 August 2018

Real-Time Insights into Biological Events: In-Cell Processes and Protein-Ligand Interactions

scientific article published on 06 December 2018

Regulation of HuR structure and function by dihydrotanshinone-I.

scientific article

Relaxivity of Gd-Based MRI Contrast Agents in Crosslinked Hyaluronic Acid as a Model for Tissues

scientific article published on 30 July 2019

Reviewing the Crystal Structure of S100Z and Other Members of the S100 Family: Implications in Calcium-Regulated Quaternary Structure

scientific article published on 01 January 2019

SSNMR of biosilica-entrapped enzymes permits an easy assessment of preservation of native conformation in atomic detail

scientific article published on 01 January 2014

Simultaneous Targeting of RGD-Integrins and Dual Murine Double Minute Proteins in Glioblastoma Multiforme.

scientific article

Single Peptide Backbone Surrogate Mutations to Regulate Angiotensin GPCR Subtype Selectivity

scientific article published on 04 May 2020

Snapshots of the Reaction Mechanism of Matrix Metalloproteinases

scientific article published on 01 December 2006

Solid-State NMR of Matrix Metalloproteinase 12: An Approach Complementary to Solution NMR

scholarly article by Stéphane Balayssac published in March 2007

Solid-State NMR of PEGylated Proteins.

scientific article published on 12 January 2016

Solution structure and dynamics of human S100A14

scientific article

Solvent 1H NMRD study of biotinylated paramagnetic liposomes containing Gd-bis-SDA-DTPA or Gd-DMPE-DTPA

Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis

scientific article

Structural characterization of a protein adsorbed on aluminum hydroxide adjuvant in vaccine formulation

scientific article published on 28 May 2019

Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs)

scientific article

Substrate specificities of matrix metalloproteinase 1 in PAR-1 exodomain proteolysis

scientific article published on 01 August 2007

Sulfonamide-Functionalized Gadolinium DTPA Complexes as Possible Contrast Agents for MRI: A Relaxometric Investigation

Synthesis and binding monitoring of a new nanomolar PAMAM-based matrix metalloproteinases inhibitor (MMPIs).

scientific article published on 19 November 2016

Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors.

scientific article

Targeting Matrix Metalloproteinases: Design of a Bifunctional Inhibitor for Presentation by Tumour-Associated Galectins

scientific article published on 27 December 2012

The G-Triplex DNA

The Photocatalyzed Thiol-ene reaction: A New Tag to Yield Fast, Selective and reversible Paramagnetic Tagging of Proteins

scientific article published on 24 February 2020

The catalytic domain of MMP-1 studied through tagged lanthanides

scientific article

Therapeutic Targeting of MMP-12 for the Treatment of Chronic Obstructive Pulmonary Disease

scientific article published on 27 October 2020

Tuning sensitivity in paramagnetic NMR detection of ligand-DNA interactions

scientific article published on 01 August 2007

Unraveling hidden regulatory sites in structurally homologous metalloproteases

scientific article

Water-based ligand screening for paramagnetic metalloproteins

scientific article

X-ray structures of binary and ternary enzyme-product-inhibitor complexes of matrix metalloproteinases

scientific article

List of works by Marco Fragai

"Four-dimensional" protein structures: examples from metalloproteins.

(1)H-detected solid-state NMR of proteins entrapped in bioinspired silica: a new tool for biomaterials characterization

A Calix[4]arene GdIII Complex Endowed with High Stability, Relaxivity, and Binding Affinity to Serum Albumin

A Divalent PAMAM-Based Matrix Metalloproteinase/Carbonic Anhydrase Inhibitor for the Treatment of Dry Eye Syndrome

A High-Affinity Carbohydrate-Containing Inhibitor of Matrix Metalloproteinases

A new methodology for monitoring the activity of cdMMP-12 anchored and freeze-dried on Au (111)

A paramagnetic probe to localize residues next to carboxylates on protein surfaces

A small heterobifunctional ligand provides stable and water dispersible core–shell CdSe/ZnS quantum dots (QDs)

Activity of anchored human matrix metalloproteinase-1 catalytic domain on Au (111) surfaces monitored by ESI-MS.

Aggregation kinetics of the Aβ1-40 peptide monitored by NMR

Algal autolysate medium to label proteins for NMR in mammalian cells

Atomic structural details of a protein grafted onto gold nanoparticles.

Atomic-Level Quality Assessment of Enzymes Encapsulated in Bioinspired Silica.

Bilayer Membrane Modulation of Membrane Type 1 Matrix Metalloproteinase (MT1-MMP) Structure and Proteolytic Activity.

Biosilica-Entrapped Enzymes Studied by Using Dynamic Nuclear-Polarization-Enhanced High-Field NMR Spectroscopy

Biotin-tagged probes for MMP expression and activation: design, synthesis, and binding properties

Characterisation of the MMP-12-Elastin Adduct

Characterization of PEGylated Asparaginase: New Opportunities from NMR Analysis of Large PEGylated Therapeutics

Characterization of the Conjugation Pattern in Large Polysaccharide-Protein Conjugates by NMR Spectroscopy.

Combining in silico tools and NMR data to validate protein-ligand structural models: application to matrix metalloproteinases

Computer-Aided Identification and Lead Optimization of Dual Murine Double Minute 2 and 4 Binders: Structure-Activity Relationship Studies and Pharmacological Activity

Conformational freedom of metalloproteins revealed by paramagnetism-assisted NMR

Conformational variability of matrix metalloproteinases: beyond a single 3D structure

Design in silico, synthesis and binding evaluation of a carbohydrate-based scaffold for structurally novel inhibitors of matrix metalloproteinases

Differences in Dynamics between Crosslinked and Non-Crosslinked Hyaluronates Measured by using Fast Field-Cycling Relaxometry

Discovery of a New Class of Potent MMP Inhibitors by Structure-Based Optimization of the Arylsulfonamide Scaffold

Dissecting the Interactions between Human Serum Albumin and α-Synuclein: New Insights on the Factors Influencing α-Synuclein Aggregation in Biological Fluids

Entropic contribution to the linking coefficient in fragment based drug design: a case study

Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12

Examination of matrix metalloproteinase-1 in solution: a preference for the pre-collagenolysis state.

Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding

Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases

Functionalized Hyaluronic Acid for “<i>In Situ</i>” Matrix Metalloproteinase Inhibition: A Bioactive Material to Treat the Dry Eye Sydrome

G-triplex structure and formation propensity

HTS by NMR for the Identification of Potent and Selective Inhibitors of Metalloenzymes.

High-Resolution Solid-State NMR Characterization of Ligand Binding to a Protein Immobilized in a Silica Matrix.

How Do Nuclei Couple to the Magnetic Moment of a Paramagnetic Center? A New Theory at the Gauntlet of the Experiments

In situ AP/MALDI-MS characterization of anchored matrix metalloproteinases

Insights into domain-domain motions in proteins and RNA from solution NMR

Interdomain flexibility in full-length matrix metalloproteinase-1 (MMP-1).

Interfering with HuR-RNA Interaction: Design, Synthesis and Biological Characterization of Tanshinone Mimics as Novel, Effective HuR Inhibitors

Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation

Intra- and interdomain flexibility in matrix metalloproteinases: functional aspects and drug design

Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).

Long-range paramagnetic NMR data can provide a closer look on metal coordination in metalloproteins.

Mechanism and Inhibition of Matrix Metalloproteinases.

Metal centers in biomolecular solid-state NMR

Methyl group assignment using pseudocontact shifts with PARAssign ⬇️

Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies

NMR characterization of the C-terminal tail of full-length RAGE in a membrane mimicking environment

NMR of sedimented, fibrillized, silica-entrapped and microcrystalline (metallo)proteins

NMR-based techniques in the hit identification and optimisation processes

Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?

Paramagnetic Properties of a Crystalline Iron-Sulfur Protein by Magic-Angle Spinning NMR Spectroscopy

Paramagnetic metal ions in ligand screening: the Co(II) matrix metalloproteinase 12.

Persistent contrast enhancement by sterically stabilized paramagnetic liposomes in murine melanoma

Practical considerations over spectral quality in solid state NMR spectroscopy of soluble proteins

Probing the interaction of distamycin A with S100β: the “unexpected” ability of S100β to bind to DNA-binding ligands

Protein Glycosylation through Sulfur Fluoride Exchange (SuFEx) Chemistry: The Key Role of a Fluorosulfate Thiolactoside

Quantum Dot-Based Probes for Labeling and Imaging of Cells that Express Matrix Metalloproteinases

Real-Time Insights into Biological Events: In-Cell Processes and Protein-Ligand Interactions

Regulation of HuR structure and function by dihydrotanshinone-I.

Relaxivity of Gd-Based MRI Contrast Agents in Crosslinked Hyaluronic Acid as a Model for Tissues

Reviewing the Crystal Structure of S100Z and Other Members of the S100 Family: Implications in Calcium-Regulated Quaternary Structure

SSNMR of biosilica-entrapped enzymes permits an easy assessment of preservation of native conformation in atomic detail

Simultaneous Targeting of RGD-Integrins and Dual Murine Double Minute Proteins in Glioblastoma Multiforme.

Single Peptide Backbone Surrogate Mutations to Regulate Angiotensin GPCR Subtype Selectivity

Snapshots of the Reaction Mechanism of Matrix Metalloproteinases

Solid-State NMR of Matrix Metalloproteinase 12: An Approach Complementary to Solution NMR

Solid-State NMR of PEGylated Proteins.

Solution structure and dynamics of human S100A14

Solvent 1H NMRD study of biotinylated paramagnetic liposomes containing Gd-bis-SDA-DTPA or Gd-DMPE-DTPA

Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis

Structural characterization of a protein adsorbed on aluminum hydroxide adjuvant in vaccine formulation

Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs)

Substrate specificities of matrix metalloproteinase 1 in PAR-1 exodomain proteolysis

Sulfonamide-Functionalized Gadolinium DTPA Complexes as Possible Contrast Agents for MRI: A Relaxometric Investigation

Sulfonamide-Functionalized Gadolinium DTPA Complexes as Possible Contrast Agents for MRI: A Relaxometric Investigation

Synthesis and binding monitoring of a new nanomolar PAMAM-based matrix metalloproteinases inhibitor (MMPIs).