Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography (Q30301213)

13 November 2017

Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography (English)

1 reference

13 November 2017

X-ray crystallography

0 references

6

Elizabeth E Howell

1 reference

PubMed publication ID

21 June 2017

Qun Wan

1

0 references

Andrey Kovalevsky

object named as

Andrey Kovalevsky

4

0 references

Paul Langan

object named as

Paul Langan

5

0 references

author name string

Brad C Bennett

2

1 reference

13 November 2017

Mark A Wilson

3

1 reference

13 November 2017

Chris Dealwis

7

1 reference

13 November 2017

language of work or name

English

0 references

publication date

1 December 2014

1 reference

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

13 November 2017

1 reference

13 November 2017

111

1 reference

13 November 2017

51

1 reference

13 November 2017

18225-18230

1 reference

Escherichia coli dihydrofolate reductase catalyzed proton and hydride transfers: temporal order and the roles of Asp27 and Tyr100.

13 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Preliminary joint X-ray and neutron protein crystallographic studies of ecDHFR complexed with folate and NADP+.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Methotrexate: new uses for an old drug.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Evidence that a 'dynamic knockout' in Escherichia coli dihydrofolate reductase does not affect the chemical step of catalysis.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Identification of the elusive hydronium ion exchanging roles with a proton in an enzyme at lower pH values

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Metal Ion Roles and the Movement of Hydrogen during Reaction Catalyzed by D-Xylose Isomerase: A Joint X-Ray and Neutron Diffraction Study

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

PHENIX: a comprehensive Python-based system for macromolecular structure solution

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Cancer research: from folate antagonism to molecular targets

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Mutational 'hot-spots' in mammalian, bacterial and protozoal dihydrofolate reductases associated with antifolate resistance: sequence and structural comparison

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

On the determinants of amide backbone exchange in proteins: a neutron crystallographic comparative study.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

SHELXL: high-resolution refinement

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-ray Diffraction

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Conformational change of the methionine 20 loop of Escherichia coli dihydrofolate reductase modulates pKa of the bound dihydrofolate

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

The dynamic energy landscape of dihydrofolate reductase catalysis

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Towards species-specific antifolates

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Structure, dynamics, and catalytic function of dihydrofolate reductase

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Role of water in the catalytic cycle of E. coli dihydrofolate reductase

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Network of coupled promoting motions in enzyme catalysis

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Quasi-Laue neutron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Stretching exercises--flexibility in dihydrofolate reductase catalysis

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Determination by Raman spectroscopy of the pKa of N5 of dihydrofolate bound to dihydrofolate reductase: mechanistic implications

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Functional role of aspartic acid-27 in dihydrofolate reductase revealed by mutagenesis

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Construction and evaluation of the kinetic scheme associated with dihydrofolate reductase from Escherichia coli

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

A second-site mutation at phenylalanine-137 that increases catalytic efficiency in the mutant aspartate-27----serine Escherichia coli dihydrofolate reductase.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Crystal structures of Escherichia coli dihydrofolate reductase: the NADP+ holoenzyme and the folate.NADP+ ternary complex. Substrate binding and a model for the transition state

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Theoretical studies on the dihydrofolate reductase mechanism: electronic polarization of bound substrates

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4280638

Energetically most likely substrate and active-site protonation sites and pathways in the catalytic mechanism of dihydrofolate reductase

3 June 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1415856111

Effect of pH on hydride transfer by Escherichia coli dihydrofolate reductase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1415856111

Dynamics of a flexible loop in dihydrofolate reductase from Escherichia coli and its implication for catalysis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1415856111

Protein dynamics investigated by the neutron diffraction-hydrogen exchange technique.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1415856111

Dissociation constants for dihydrofolic acid and dihydrobiopterin and implications for mechanistic models for dihydrofolate reductase

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1415856111

Direct Measurement of the pKaof Aspartic Acid 26 inLactobacillus caseiDihydrofolate Reductase: Implications for the Catalytic Mechanism

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1415856111

Determination of dissociation constants of folic acid, methotrexate, and other photolabile pteridines by pressure-assisted capillary electrophoresis

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25453083

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

13C and 15N nuclear magnetic resonance evidence that the active site carboxyl group of dihydrofolate reductase is not involved in the relay of a proton to substrate

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25453083

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Proton magnetic resonance studies of folate, dihydrofolate, and methotrexate. Evidence from pH and concentration studies for dimerization

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25453083

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.1415856111

1 reference

13 November 2017

0 references

1 reference

13 November 2017

PubMed publication ID

25453083

1 reference