An Atomistic Understanding of Allosteric Inhibition of Glutamate Racemase: a Dampening of Native Activation Dynamics

Katie R. Witkin; Nicholas R. Vance; Colleen Caldwell; Quinn Li; Liping Yu; M. Ashley Spies

doi:10.1002/cmdc.201900642

An Atomistic Understanding of Allosteric Inhibition of Glutamate Racemase: a Dampening of Native Activation Dynamics

ChemMedChem ◽

10.1002/cmdc.201900642 ◽

2020 ◽

Vol 15 (4) ◽

pp. 376-384

Author(s):

Katie R. Witkin ◽

Nicholas R. Vance ◽

Colleen Caldwell ◽

Quinn Li ◽

Liping Yu ◽

...

Keyword(s):

Allosteric Inhibition ◽

Glutamate Racemase ◽

Activation Dynamics

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Nature of Allosteric Inhibition in Glutamate Racemase: Discovery and Characterization of a Cryptic Inhibitory Pocket Using Atomistic MD Simulations and pKaCalculations

The Journal of Physical Chemistry B ◽

10.1021/jp201037t ◽

2011 ◽

Vol 115 (13) ◽

pp. 3416-3424 ◽

Cited By ~ 16

Author(s):

Katie L. Whalen ◽

Kenneth B. Tussey ◽

Steven R. Blanke ◽

M. Ashley Spies

Keyword(s):

Md Simulations ◽

Allosteric Inhibition ◽

Glutamate Racemase

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Activation dynamics of creative intuition

PsycEXTRA Dataset ◽

10.1037/e520592012-278 ◽

2010 ◽

Author(s):

Kristin Grunewald ◽

Jared M. Novick ◽

Henk J. Haarmann

Keyword(s):

Activation Dynamics

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Faculty Opinions recommendation of Allosteric inhibition of protein tyrosine phosphatase 1B.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1020164.232545 ◽

2004 ◽

Author(s):

Wolfgang Jahnke

Keyword(s):

Protein Tyrosine Phosphatase ◽

Tyrosine Phosphatase ◽

Protein Tyrosine Phosphatase 1B ◽

Allosteric Inhibition ◽

Protein Tyrosine

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Faculty Opinions recommendation of Allosteric inhibition of protein tyrosine phosphatase 1B.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1020164.229476 ◽

2004 ◽

Author(s):

Stevan Hubbard

Keyword(s):

Protein Tyrosine Phosphatase ◽

Tyrosine Phosphatase ◽

Protein Tyrosine Phosphatase 1B ◽

Allosteric Inhibition ◽

Protein Tyrosine

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Faculty Opinions recommendation of Subunit-selective allosteric inhibition of glycine binding to NMDA receptors.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.716597815.792002815 ◽

2012 ◽

Author(s):

Johannes Hell

Keyword(s):

Nmda Receptors ◽

Allosteric Inhibition

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Faculty Opinions recommendation of 2.3 Å resolution cryo-EM structure of human p97 and mechanism of allosteric inhibition.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.726107428.793534650 ◽

2017 ◽

Author(s):

Tom Rapoport

Keyword(s):

Allosteric Inhibition

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Faculty Opinions recommendation of Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.726472311.793521055 ◽

2016 ◽

Author(s):

Xiayang Qiu ◽

Ye Che

Keyword(s):

Tyrosine Kinases ◽

Receptor Tyrosine Kinases ◽

Allosteric Inhibition

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Allosteric inhibition of methylenetetrahydrofolate reductase by adenosylmethionine. Effects of adenosylmethionine and NADPH on the equilibrium between active and inactive forms of the enzyme and on the kinetics of approach to equilibrium.

Journal of Biological Chemistry ◽

10.1016/s0021-9258(18)61530-3 ◽

1987 ◽

Vol 262 (6) ◽

pp. 2485-2493 ◽

Cited By ~ 1

Author(s):

D.A. Jencks ◽

R.G. Mathews

Keyword(s):

Methylenetetrahydrofolate Reductase ◽

Approach To Equilibrium ◽

Allosteric Inhibition ◽

Kinetics Of

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The role of cysteine 206 in allosteric inhibition of Escherichia coli citrate synthase. Studies by chemical modification, site-directed mutagenesis, and 19F NMR.

Journal of Biological Chemistry ◽

10.1016/s0021-9258(18)54766-9 ◽

1991 ◽

Vol 266 (31) ◽

pp. 20709-20713

Author(s):

L.J. Donald ◽

B.R. Crane ◽

D.H. Anderson ◽

H.W. Duckworth

Keyword(s):

Escherichia Coli ◽

Chemical Modification ◽

Citrate Synthase ◽

Site Directed Mutagenesis ◽

19F Nmr ◽

Directed Mutagenesis ◽

Allosteric Inhibition

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Probing the Allosteric Inhibition Mechanism of a Spike Protein Using Molecular Dynamics Simulations and Active Compound Identifications

Journal of Medicinal Chemistry ◽

10.1021/acs.jmedchem.1c00320 ◽

2021 ◽

Author(s):

Qian Wang ◽

Lin Wang ◽

Yumin Zhang ◽

XiangLei Zhang ◽

Leike Zhang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Active Compound ◽

Spike Protein ◽

Inhibition Mechanism ◽

Allosteric Inhibition ◽

Dynamics Simulations

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