List of works - Emil F. Pai

A point mutation in the Ch3 domain of human IgG3 inhibits antibody secretion without affecting antigen specificity

scientific article

A porphodimethene chemical inhibitor of uroporphyrinogen decarboxylase

scientific article (publication date: 2014)

A potent, covalent inhibitor of orotidine 5'-monophosphate decarboxylase with antimalarial activity

scientific article

A structural basis for Mg2+ homeostasis and the CorA translocation cycle

scientific article

Ablation of the complementarity-determining region H3 apex of the anti-HIV-1 broadly neutralizing antibody 2F5 abrogates neutralizing capacity without affecting core epitope binding

scientific article published on 10 February 2010

Activators of cylindrical proteases as antimicrobials: identification and development of small molecule activators of ClpP protease

scientific article published in September 2011

An extremely potent inhibitor of xanthine oxidoreductase. Crystal structure of the enzyme-inhibitor complex and mechanism of inhibition

scientific article

An iris-like mechanism of pore dilation in the CorA magnesium transport system

scientific article

An unprecedented twist to ODCase catalytic activity

scientific article

Anabaena circadian clock proteins KaiA and KaiB reveal a potential common binding site to their partner KaiC

scientific article

Antimalarial activities of 6-iodouridine and its prodrugs and potential for combination therapy

scientific article published on 6 March 2013

Atomic Resolution Structure of the Orotidine 5'-Monophosphate Decarboxylase Product Complex Combined with Surface Plasmon Resonance Analysis: IMPLICATIONS FOR THE CATALYTIC MECHANISM

scientific article

Atomic model of human Rcd-1 reveals anarmadillo-like-repeat protein with in vitro nucleic acid binding properties

scientific article

Atomic structure of the actin:DNase I complex

scientific article

Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase

scientific article

Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.

scientific article published on 6 April 2018

Catalysis and regulation There are always surprises

scientific article published on 01 December 1997

Catalysis and regulation: There is always another way

scientific article published on 01 December 1999

Characterization of Vis Toxin, a Novel ADP-Ribosyltransferase from Vibrio splendidus

scientific article

Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope

scientific article

Conformational determinants of phosphotyrosine peptides complexed with the Src SH2 domain

scientific article

Cross-Neutralizing Human Monoclonal Anti-HIV-1 Antibody 2F5: Preparation and Crystallographic Analysis of the Free and Epitope-Complexed Forms of its F ab Fragment

article

Crystal Structure of the Passenger Domain of the Escherichia coli Autotransporter EspP

scientific article

Crystal structure of Methanobacterium thermoautotrophicum conserved protein MTH1020 reveals an NTN-hydrolase fold

scientific article

Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family

scientific article

Crystal structure of a truncated urease accessory protein UreF from Helicobacter pylori

scientific article

Crystal structure of alkyl hydroperoxidase D like protein PA0269 from Pseudomonas aeruginosa: homology of the AhpD-like structural family.

scientific article

Crystal structure of metarhodopsin II

scientific article

Crystal structure of the CN-hydrolase SA0302 from the pathogenic bacterium Staphylococcus aureus belonging to the Nit and NitFhit Branch of the nitrilase superfamily

scientific article published on 2 October 2012

Crystal structure of the complex between the F(ab)' fragment of the cross-neutralizing anti-HIV-1 antibody 2F5 and the F(ab) fragment of its anti-idiotypic antibody 3H6

scientific article

Crystal structures of inhibitor complexes reveal an alternate binding mode in orotidine-5'-monophosphate decarboxylase

scientific article

Crystal structures of urate bound form of xanthine oxidoreductase: substrate orientation and structure of the key reaction intermediate

scientific article

Crystallization and preliminary X-ray analysis of the human c-H-ras-oncogene product p21 complexed with GTP analogues

article

Crystallization and preliminary X-ray analysis of the inducible lysine decarboxylase from Escherichia coli

scientific article published on 5 July 2008

Crystallization and preliminary X-ray diffraction analysis of the magnesium transporter CorA

scientific article

Crystallization and preliminary X-ray diffraction study of the flavoenzyme 2,4-pentadienoyl-CoA reductase from Clostridium aminovalericum

scientific article published on 01 November 1994

Crystallization and preliminary X-ray diffraction study of the green flavoenzyme 5-Hydroxyvaleryl-CoA dehydratase/dehydrogenase fromClostridium aminovalericum

scientific article published on 01 July 1994

Crystallization and preliminary X-ray structure analysis of thermally unstable p21(H-ras) guanosine complexes

scientific article published in July 1994

Crystallization and preliminary crystallographic analysis of trypanothione reductase from Trypanosoma cruzi , the causative agent of Chagas' disease

article

Crystallization and preliminary structural studies of lactose-specific enzyme IIA from Lactococcus lactis

scientific article published in November 1996

Crystallographic Definition of the Epitope Promiscuity of the Broadly Neutralizing Anti-Human Immunodeficiency Virus Type 1 Antibody 2F5: Vaccine Design Implications

scientific article

Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points

scientific article published in July 1994

Data publication with the structural biology data grid supports live analysis

scientific article

Design of Inhibitors of Orotidine Monophosphate Decarboxylase Using Bioisosteric Replacement and Determination of Inhibition Kinetics

scientific article published on 01 August 2006

Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity

scientific article

Development of Antibiotics That Dysregulate the Neisserial ClpP Protease

scientific article published on 25 November 2020

Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes

scientific article published in January 1998

Distinct conformation-mediated functions of an active site loop in the catalytic reactions of NAD-dependent D-lactate dehydrogenase and formate dehydrogenase.

scientific article

Enzyme-driven speciation: crystallizing Archaea via lipid capture

scientific article published on 25 January 2007

EspP, an Extracellular Serine Protease from Enterohemorrhagic E. coli, Reduces Coagulation Factor Activities, Reduces Clot Strength, and Promotes Clot Lysis

scientific article

Familiar jaws with new twists.

scientific article

First Principle Computational Study on the Full Conformational Space ofl-Proline Diamides

scientific article published on 01 March 2005

First-Principle Computational Study on the Full Conformational Space ofl-Threonine Diamide, the Energetic Stability of Cis and Trans Isomers

scientific article published on 01 October 2006

Fixed target matrix for femtosecond time-resolved and in situ serial micro-crystallography

scientific article published on 18 August 2015

Germline V-genes sculpt the binding site of a family of antibodies neutralizing human cytomegalovirus

scientific article

Halothane binds in the adenine-specific niche of crystalline adenylate kinase

scientific article published on July 1977

Hydrophobic Gating of Ion Permeation in Magnesium Channel CorA

scientific article

Inhibition of orotidine 5'-monophosphate decarboxylase and its therapeutic potential

scientific article published on March 2008

Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.

scientific article

Interaction of anti-HIV type 1 antibody 2F5 with phospholipid bilayers and its relevance for the mechanism of virus neutralization

scientific article published on 15 January 2011

Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase

scientific article

Mammalian xanthine oxidoreductase - mechanism of transition from xanthine dehydrogenase to xanthine oxidase

scientific article published on 30 May 2008

Mapping the Reaction Coordinates of Enzymatic Defluorination

scientific article

Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography

scientific article

Mechanism of inhibition of xanthine oxidoreductase by allopurinol: crystal structure of reduced bovine milk xanthine oxidoreductase bound with oxipurinol

scientific article

Mechanism of the conversion of xanthine dehydrogenase to xanthine oxidase: identification of the two cysteine disulfide bonds and crystal structure of a non-convertible rat liver xanthine dehydrogenase mutant

scientific journal article

Mutational, structural, and kinetic studies of the ATP-binding site of Methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase

scientific article

N-Terminal Helix-Cap in α-Helix 2 Modulates β-State Misfolding in Rabbit and Hamster Prion Proteins

scientific article

Neutralizing epitopes in the membrane-proximal external region of HIV-1 gp41 are influenced by the transmembrane domain and the plasma membrane

scientific article published on 11 January 2012

Nicotinamide mononucleotide adenylyltransferase displays alternate binding modes for nicotinamide nucleotides

scientific article

NmerA, the metal binding domain of mercuric ion reductase, removes Hg2+ from proteins, delivers it to the catalytic core, and protects cells under glutathione-depleted conditions

scientific article

Novel Interactions of Fluorinated Nucleotide Derivatives Targeting Orotidine 5′-Monophosphate Decarboxylase

scientific article

Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist

scientific article

Opsin, a structural model for olfactory receptors?

scientific article

Orotidine Monophosphate Decarboxylase--A Fascinating Workhorse Enzyme with Therapeutic Potential.

scientific article published on 16 May 2015

Primary and Tertiary Structure of the Principal Human Adenylate Kinase ⬇️

scientific article published on September 1, 1976

Prion disease susceptibility is affected by -structure folding propensity and local side-chain interactions in PrP

scientific article

Probing structure-function relationships and gating mechanisms in the CorA Mg2+ transport system

scientific article published on 14 February 2008

Protein Conformational Gating of Enzymatic Activity in Xanthine Oxidoreductase

scientific article

Purification, crystallization and preliminary X-ray diffraction studies of xanthine dehydrogenase and xanthine oxidase isolated from bovine milk.

scientific article published in December 2000

Purification, crystallization and preliminary X-ray study of orotidine 5′-monophosphate decarboxylase

scientific article published on 01 July 2000

Quantifying the intrinsic effects of two point mutation models of pro-pro-pro triamino acid diamide. A first-principle computational study.

scientific article published on 20 October 2007

Quantifying the intrinsic effects of two point mutation models of proline-proline diamino acid diamide: a first-principle computational study.

scientific article published on 08 September 2007

Relative and regional stabilities of the hamster, mouse, rabbit, and bovine prion proteins toward urea unfolding assessed by nuclear magnetic resonance and circular dichroism spectroscopies

scientific article published on 9 August 2011

Resolution of structural heterogeneity in dynamic crystallography

scientific article

Sequence- and activity-based screening of microbial genomes for novel dehalogenases

scientific article

Simulation of the solution structure of the H-ras p21-GTP complex

scientific article published on 01 June 1992

Structural Characterization of the Molecular Events during a Slow Substrate–Product Transition in Orotidine 5′-Monophosphate Decarboxylase

scientific article

Structural asymmetry in the magnesium channel CorA points to sequential allosteric regulation

scientific article

Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5

scientific article

Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site

scientific article

Structural determinants for the inhibitory ligands of orotidine-5′-monophosphate decarboxylase

scientific article

Structural diversity and plasticity associated with nucleotides targeting orotidine monophosphate decarboxylase

scientific article published on 9 January 2008

Structural factors underlying the species barrier and susceptibility to infection in prion disease.

scientific article published on April 2010

Structural insights into Noonan/LEOPARD syndrome-related mutants of protein-tyrosine phosphatase SHP2 (PTPN11)

scientific article

Structural proteomics of an archaeon

scientific article

Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope

scientific article

Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase

scientific article

Structure-activity relationships of orotidine-5'-monophosphate decarboxylase inhibitors as anticancer agents

scientific article

Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation

scientific article published on 29 April 2016

Studies on the structure and mechanism of H-ras p21

scientific article published on April 29, 1992

Substrate Distortion Contributes to the Catalysis of Orotidine 5′-Monophosphate Decarboxylase

scientific article

Substrate-Based Allosteric Regulation of a Homodimeric Enzyme

scientific article published on 26 June 2019

Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase

scientific article published on 13 August 2019

The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase.

scientific article published on 26 March 2015

The alpha and beta of turning on a molecular switch

scientific article published on 01 April 1998

The crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase reveals an ancient fold for an ancient enzyme

scientific article published on 23 December 2005

The crystal structure of xanthine oxidoreductase during catalysis: implications for reaction mechanism and enzyme inhibition

scientific article

The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities

scientific article published on 12 September 2018

The prion protein is embedded in a molecular environment that modulates transforming growth factor β and integrin signaling.

scientific article

The role of dimer asymmetry and protomer dynamics in enzyme catalysis.

scientific article

The structure and regulation of magnesium selective ion channels

scientific article published on 15 August 2013

The structure of OmpF porin in a tetragonal crystal form

scientific article

The structure of SAV1646 from Staphylococcus aureus belonging to a new `ribosome-associated' subfamily of bacterial proteins.

scientific article

Three-dimensional structure and properties of wild-type and mutant H-ras-encoded p21.

scientific article published on January 1993

Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras

scientific article

Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules

scientific article

Time-resolved crystallography reveals allosteric communication aligned with molecular breathing

scientific article

Transition State Infrared Spectra for the Trans→Cis Isomerization of a Simple Peptide Model

article

Two mutations convert mammalian xanthine oxidoreductase to highly superoxide-productive xanthine oxidase

scientific article

Unique amino acids cluster for switching from the dehydrogenase to oxidase form of xanthine oxidoreductase

scientific article

X-CHIP: an integrated platform for high-throughput protein crystallization and on-the-chip X-ray diffraction data collection ⬇️

scientific article

X-ray crystal structure analysis of the catalytic domain of the oncogene product p21H-ras complexed with caged GTP and mant dGppNHp

scientific article

X-ray structure of a Hg2+ complex of mercuric reductase (MerA) and quantum mechanical/molecular mechanical study of Hg2+ transfer between the C-terminal and buried catalytic site cysteine pairs

scientific article

Y-700 [1-[3-Cyano-4-(2,2-dimethylpropoxy)phenyl]-1H-pyrazole-4-carboxylic acid]: a potent xanthine oxidoreductase inhibitor with hepatic excretion

scientific article

β-Carbonic anhydrase fromPisum sativum: crystallization and preliminary X-ray analysis

scientific article published on 01 July 2000

List of works by Emil F. Pai

A point mutation in the Ch3 domain of human IgG3 inhibits antibody secretion without affecting antigen specificity

A porphodimethene chemical inhibitor of uroporphyrinogen decarboxylase

A potent, covalent inhibitor of orotidine 5'-monophosphate decarboxylase with antimalarial activity

A structural basis for Mg2+ homeostasis and the CorA translocation cycle

Ablation of the complementarity-determining region H3 apex of the anti-HIV-1 broadly neutralizing antibody 2F5 abrogates neutralizing capacity without affecting core epitope binding

Activators of cylindrical proteases as antimicrobials: identification and development of small molecule activators of ClpP protease

An extremely potent inhibitor of xanthine oxidoreductase. Crystal structure of the enzyme-inhibitor complex and mechanism of inhibition

An iris-like mechanism of pore dilation in the CorA magnesium transport system

An unprecedented twist to ODCase catalytic activity

Anabaena circadian clock proteins KaiA and KaiB reveal a potential common binding site to their partner KaiC

Antimalarial activities of 6-iodouridine and its prodrugs and potential for combination therapy

Atomic Resolution Structure of the Orotidine 5'-Monophosphate Decarboxylase Product Complex Combined with Surface Plasmon Resonance Analysis: IMPLICATIONS FOR THE CATALYTIC MECHANISM

Atomic model of human Rcd-1 reveals anarmadillo-like-repeat protein with in vitro nucleic acid binding properties

Atomic structure of the actin:DNase I complex

Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase

Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.

Catalysis and regulation There are always surprises

Catalysis and regulation: There is always another way

Characterization of Vis Toxin, a Novel ADP-Ribosyltransferase from Vibrio splendidus

Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope

Conformational determinants of phosphotyrosine peptides complexed with the Src SH2 domain

Cross-Neutralizing Human Monoclonal Anti-HIV-1 Antibody 2F5: Preparation and Crystallographic Analysis of the Free and Epitope-Complexed Forms of its F ab Fragment

Crystal Structure of the Passenger Domain of the Escherichia coli Autotransporter EspP

Crystal structure of Methanobacterium thermoautotrophicum conserved protein MTH1020 reveals an NTN-hydrolase fold

Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family

Crystal structure of a truncated urease accessory protein UreF from Helicobacter pylori

Crystal structure of alkyl hydroperoxidase D like protein PA0269 from Pseudomonas aeruginosa: homology of the AhpD-like structural family.

Crystal structure of metarhodopsin II

Crystal structure of the CN-hydrolase SA0302 from the pathogenic bacterium Staphylococcus aureus belonging to the Nit and NitFhit Branch of the nitrilase superfamily

Crystal structure of the complex between the F(ab)' fragment of the cross-neutralizing anti-HIV-1 antibody 2F5 and the F(ab) fragment of its anti-idiotypic antibody 3H6

Crystal structures of inhibitor complexes reveal an alternate binding mode in orotidine-5'-monophosphate decarboxylase

Crystal structures of urate bound form of xanthine oxidoreductase: substrate orientation and structure of the key reaction intermediate

Crystallization and preliminary X-ray analysis of the human c-H-ras-oncogene product p21 complexed with GTP analogues

Crystallization and preliminary X-ray analysis of the inducible lysine decarboxylase from Escherichia coli

Crystallization and preliminary X-ray diffraction analysis of the magnesium transporter CorA

Crystallization and preliminary X-ray diffraction study of the flavoenzyme 2,4-pentadienoyl-CoA reductase from Clostridium aminovalericum

Crystallization and preliminary X-ray diffraction study of the green flavoenzyme 5-Hydroxyvaleryl-CoA dehydratase/dehydrogenase fromClostridium aminovalericum

Crystallization and preliminary X-ray structure analysis of thermally unstable p21(H-ras) guanosine complexes

Crystallization and preliminary crystallographic analysis of trypanothione reductase from Trypanosoma cruzi , the causative agent of Chagas' disease

Crystallization and preliminary structural studies of lactose-specific enzyme IIA from Lactococcus lactis

Crystallographic Definition of the Epitope Promiscuity of the Broadly Neutralizing Anti-Human Immunodeficiency Virus Type 1 Antibody 2F5: Vaccine Design Implications

Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points

Data publication with the structural biology data grid supports live analysis

Design of Inhibitors of Orotidine Monophosphate Decarboxylase Using Bioisosteric Replacement and Determination of Inhibition Kinetics

Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity

Development of Antibiotics That Dysregulate the Neisserial ClpP Protease

Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes

Distinct conformation-mediated functions of an active site loop in the catalytic reactions of NAD-dependent D-lactate dehydrogenase and formate dehydrogenase.

Enzyme-driven speciation: crystallizing Archaea via lipid capture

EspP, an Extracellular Serine Protease from Enterohemorrhagic E. coli, Reduces Coagulation Factor Activities, Reduces Clot Strength, and Promotes Clot Lysis

Familiar jaws with new twists.

First Principle Computational Study on the Full Conformational Space ofl-Proline Diamides

First-Principle Computational Study on the Full Conformational Space ofl-Threonine Diamide, the Energetic Stability of Cis and Trans Isomers

Fixed target matrix for femtosecond time-resolved and in situ serial micro-crystallography

Germline V-genes sculpt the binding site of a family of antibodies neutralizing human cytomegalovirus

Halothane binds in the adenine-specific niche of crystalline adenylate kinase

Hydrophobic Gating of Ion Permeation in Magnesium Channel CorA

Inhibition of orotidine 5'-monophosphate decarboxylase and its therapeutic potential

Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.

Interaction of anti-HIV type 1 antibody 2F5 with phospholipid bilayers and its relevance for the mechanism of virus neutralization

Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase

Mammalian xanthine oxidoreductase - mechanism of transition from xanthine dehydrogenase to xanthine oxidase

Mapping the Reaction Coordinates of Enzymatic Defluorination

Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography

Mechanism of inhibition of xanthine oxidoreductase by allopurinol: crystal structure of reduced bovine milk xanthine oxidoreductase bound with oxipurinol

Mechanism of the conversion of xanthine dehydrogenase to xanthine oxidase: identification of the two cysteine disulfide bonds and crystal structure of a non-convertible rat liver xanthine dehydrogenase mutant

Mutational, structural, and kinetic studies of the ATP-binding site of Methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase

N-Terminal Helix-Cap in α-Helix 2 Modulates β-State Misfolding in Rabbit and Hamster Prion Proteins

Neutralizing epitopes in the membrane-proximal external region of HIV-1 gp41 are influenced by the transmembrane domain and the plasma membrane

Nicotinamide mononucleotide adenylyltransferase displays alternate binding modes for nicotinamide nucleotides

NmerA, the metal binding domain of mercuric ion reductase, removes Hg2+ from proteins, delivers it to the catalytic core, and protects cells under glutathione-depleted conditions

Novel Interactions of Fluorinated Nucleotide Derivatives Targeting Orotidine 5′-Monophosphate Decarboxylase

Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist

Opsin, a structural model for olfactory receptors?

Orotidine Monophosphate Decarboxylase--A Fascinating Workhorse Enzyme with Therapeutic Potential.

Primary and Tertiary Structure of the Principal Human Adenylate Kinase ⬇️

Prion disease susceptibility is affected by -structure folding propensity and local side-chain interactions in PrP

Probing structure-function relationships and gating mechanisms in the CorA Mg2+ transport system

Protein Conformational Gating of Enzymatic Activity in Xanthine Oxidoreductase