Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis (Q27677060)

11

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David Baker

object named as

David Baker

14

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author name string

Sagar D Khare

1

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Yakov Kipnis

2

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Per Greisen

3

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Ryo Takeuchi

4

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Yacov Ashani

5

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Moshe Goldsmith

6

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Yifan Song

7

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Jasmine L Gallaher

8

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Haim Leader

10

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Barry L Stoddard

12

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Dan S Tawfik

Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction

13

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publication date

5 February 2012

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published in

Nature Chemical Biology

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volume

8

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issue

3

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page(s)

294-300

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cites work

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Switching Catalysis from Hydrolysis to Perhydrolysis in Pseudomonas fluorescens Esterase ,

20 March 2017

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Alteration of enzyme specificity by computational loop remodeling and design

20 March 2017

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Kemp elimination catalysts by computational enzyme design

20 March 2017

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De novo computational design of retro-aldol enzymes

20 March 2017

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Native protein sequences are close to optimal for their structures

20 March 2017

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Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity

20 March 2017

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Phasercrystallographic software

20 March 2017

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Macromolecular TLS refinement in REFMAC at moderate resolutions

20 March 2017

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Shape complementarity at protein/protein interfaces

20 March 2017

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Rapid and efficient site-specific mutagenesis without phenotypic selection

20 March 2017

1 reference

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An exciting but challenging road ahead for computational enzyme design

20 March 2017

1 reference

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Minimalist active-site redesign: teaching old enzymes new tricks

20 March 2017

1 reference

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The Latent Promiscuity of Newly Identified Microbial Lactonases Is Linked to a Recently Diverged Phosphotriesterase†

20 March 2017

1 reference

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Structure-reactivity studies of serum paraoxonase PON1 suggest that its native activity is lactonase

7 April 2017

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Stereo-specific synthesis of analogs of nerve agents and their utilization for selection and characterization of paraoxonase (PON1) catalytic scavengers.

22 April 2017

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Enzyme promiscuity: a mechanistic and evolutionary perspective

29 September 2017

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Enzyme (re)design: lessons from natural evolution and computation

29 September 2017

1 reference

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Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism

29 September 2017

1 reference

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Leveraging enzyme structure-function relationships for functional inference and experimental design: the structure-function linkage database

29 September 2017

1 reference

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Evolutionary potential of (beta/alpha)8-barrels: functional promiscuity produced by single substitutions in the enolase superfamily

29 September 2017

1 reference

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Function and mechanism of zinc metalloenzymes.

29 September 2017

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Stereoselective hydrolysis of organophosphate nerve agents by the bacterial phosphotriesterase

29 September 2017

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New algorithms and an in silico benchmark for computational enzyme design

2 June 2018

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Interconverting the catalytic activities of (betaalpha)(8)-barrel enzymes from different metabolic pathways: sequence requirements and molecular analysis

2 June 2018

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Design and evolution of new catalytic activity with an existing protein scaffold

21 January 2018

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Converting an esterase into an epoxide hydrolase

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEMBIO.777

Morphing activity between structurally similar enzymes: from heme-free bromoperoxidase to lipase

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEMBIO.777

Mechanism for the hydrolysis of organophosphates by the bacterial phosphotriesterase

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEMBIO.777

Gas-phase mechanisms of degradation of hazardous organophosphorus compounds: do they follow a common pattern of alkaline hydrolysis reaction as in phosphotriesterase?

21 January 2018

1 reference

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RosettaLigand docking with full ligand and receptor flexibility.

21 January 2018

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Processing of X-ray diffraction data collected in oscillation mode

21 January 2018

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Directed evolution of hydrolases for prevention of G-type nerve agent intoxication

21 January 2018

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21 January 2018

Catalytic detoxification

1 reference

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Interchange of catalytic activity within the 2-enoyl-coenzyme A hydratase/isomerase superfamily based on a common active site template

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22306579

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A single engineered point mutation in the adenine glycosylase MutY confers bifunctional glycosylase/AP lyase activity

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22306579

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Introduction of single mutation changes arylmalonate decarboxylase to racemase

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22306579