(Q27677097)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

title

Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase (English)

1 reference

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22 January 2020

1 reference

2

1 reference

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22 January 2020

Aaron T Fafarman

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

6

Steven G Boxer

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

author name string

Jason P Schwans

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

Timothy D Fenn

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

Daniel Herschlag

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

language of work or name

English

0 references

publication date

17 January 2012

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

Proceedings of the National Academy of Sciences of the United States of America

22 January 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

volume

109

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

issue

6

1 reference

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22 January 2020

page(s)

E299-308

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

Nitrile Bonds as Infrared Probes of Electrostatics in Ribonuclease S

22 January 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Testing Geometrical Discrimination within an Enzyme Active Site: Constrained Hydrogen Bonding in the Ketosteroid Isomerase Oxyanion Hole

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Very fast prediction and rationalization of pKa values for protein-ligand complexes

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

H++: a server for estimating pKas and adding missing hydrogens to macromolecules

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Origin of the Different pH Activity Profile in Two Homologous Ketosteroid Isomerases

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Asp-99 donates a hydrogen bond not to Tyr-14 but to the steroid directly in the catalytic mechanism of Delta 5-3-ketosteroid isomerase from Pseudomonas putida biotype B

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

High-resolution crystal structures of delta5-3-ketosteroid isomerase with and without a reaction intermediate analogue

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Mechanistic roles of tyrosine 149 and serine 124 in UDP-galactose 4-epimerase from Escherichia coli

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Mechanistic roles of Thr134, Tyr160, and Lys 164 in the reaction catalyzed by dTDP-glucose 4,6-dehydratase

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Direct measurement of the protein response to an electrostatic perturbation that mimics the catalytic cycle in ketosteroid isomerase

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Structural origins of high apparent dielectric constants experienced by ionizable groups in the hydrophobic core of a protein

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Nitrile groups as vibrational probes: calculations of the CN infrared absorption line shape of acetonitrile in water and tetrahydrofuran.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Mapping local protein electrostatics by EPR of pH-sensitive thiol-specific nitroxide.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Do ligand binding and solvent exclusion alter the electrostatic character within the oxyanion hole of an enzymatic active site?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Measurement of solvation responses at multiple sites in a globular protein

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Electrostatic contribution to the binding stability of protein-protein complexes.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Electric fields at the active site of an enzyme: direct comparison of experiment with theory.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

The local electrostatic environment determines cysteine reactivity of tubulin

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

What are the dielectric "constants" of proteins and how to validate electrostatic models?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Mechanistic insights from the three-dimensional structure of 3-oxo-Delta(5)-steroid isomerase

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Substituent effects on the binding of phenols to the D38N mutant of 3-oxo-delta5-steroid isomerase. A probe for the nature of hydrogen bonding to the intermediate

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Mutational analysis of the three cysteines and active-site aspartic acid 103 of ketosteroid isomerase from Pseudomonas putida biotype B.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Electrostatic interactions in macromolecules: theory and applications

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Energetics of enzyme catalysis

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Vibrational Stark effect spectroscopy at the interface of Ras and Rap1A bound to the Ras binding domain of RalGDS reveals an electrostatic mechanism for protein-protein interaction

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Decomposition of vibrational shifts of nitriles into electrostatic and hydrogen-bonding effects

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Impact of mutation on proton transfer reactions in ketosteroid isomerase: insights from molecular dynamics simulations

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Site-specific conversion of cysteine thiols into thiocyanate creates an IR probe for electric fields in proteins

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Predicting the rate enhancement of protein complex formation from the electrostatic energy of interaction.

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Stark spectroscopy: applications in chemistry, biology, and materials science

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Can a simple function for the dielectric response model electrostatic effects in globular proteins?

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Distal and proximal ligand interactions in heme proteins: correlations between C-O and Fe-C vibrational frequencies, oxygen-17 and carbon-13 nuclear magnetic resonance chemical shifts, and oxygen-17 nuclear quadrupole coupling constants in C17O- and

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

Faster superoxide dismutase mutants designed by enhancing electrostatic guidance

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3277571

The determinants of pKas in proteins

2 June 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

The catalytic power of ketosteroid isomerase investigated by computer simulation

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

Electrostatic contributions to binding of transition state analogues can be very different from the corresponding contributions to catalysis: phenolates binding to the oxyanion hole of ketosteroid isomerase

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

Nitrile and thiocyanate IR probes: quantum chemistry calculation studies and multivariate least-square fitting analysis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

Electrostatic fields near the active site of human aldose reductase: 1. New inhibitors and vibrational stark effect measurements

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

Electrophilic assistance by Asp-99 of 3-oxo-Delta 5-steroid isomerase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

Optimizing pKa computation in proteins with pH adapted conformations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

Prediction of fluorine chemical shifts in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

Prediction of pKa shifts in proteins using a combination of molecular mechanical and continuum solvent calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

Vibrational Stark effects calibrate the sensitivity of vibrational probes for electric fields in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

Mapping the electrostatic potential within the ribosomal exit tunnel

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1111566109

A test of the role of electrostatic interactions in determining the CO stretch frequency in carbonmonoxymyoglobin

21 January 2018

1 reference

12 December 2020

Tyrosine and tyrosinate fluorescence of bovine testes calmodulin: calcium and pH dependence

1 reference

12 December 2020

Charge optimization leads to favorable electrostatic binding free energy

1 reference

12 December 2020

Environments and mechanistic roles of the tyrosine residues of delta 5-3-ketosteroid isomerase

1 reference

12 December 2020

How cytochromes with different folds control heme redox potentials

1 reference

12 December 2020

Barstar is electrostatically optimized for tight binding to barnase

1 reference

12 December 2020

Studies of the mechanism of the delta 5-3-ketosteroid isomerase reaction by substrate, solvent, and combined kinetic deuterium isotope effects on wild-type and mutant enzymes

1 reference

12 December 2020

Effects of mutations of the active site arginine residues in 4-oxalocrotonate tautomerase on the pKa values of active site residues and on the pH dependence of catalysis

1 reference

12 December 2020

Vibrational Stark Effects on Carbonyl, Nitrile, and Nitrosyl Compounds Including Heme Ligands, CO, CN, and NO, Studied with Density Functional Theory

1 reference

12 December 2020

Evidence for a two-base mechanism involving tyrosine-265 from arginine-219 mutants of alanine racemase

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.1111566109

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

OpenCitations bibliographic resource ID

22 January 2020

ADS bibcode

2012PNAS..109E.299F

0 references

4647755

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

2 references

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

4647755

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

PubMed publication ID

22308339

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22308339%20AND%20SRC:MED&resulttype=core&format=json