Juan A Bueren-Calabuig

Juan A Bueren-Calabuig

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Juan A Bueren-Calabuig

Juan A Bueren-Calabuig

Publications by authors named "Juan A Bueren-Calabuig"

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The Q Site of Cytochrome is a Promiscuous Drug Target in and .

ACS Infect Dis 2020 Mar 30;6(3):515-528. Epub 2020 Jan 30.

Division of Biological Chemistry and Drug Discovery, Wellcome Centre for Anti-Infectives Research, School of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH, United Kingdom.

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http://dx.doi.org/10.1021/acsinfecdis.9b00426DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7076694PMC
March 2020

Mechanism of allosteric activation of human mRNA cap methyltransferase (RNMT) by RAM: insights from accelerated molecular dynamics simulations.

Nucleic Acids Res 2019 09;47(16):8675-8692

Computational Biology, School of Life Sciences, University of Dundee, Dundee, DD1 5EH, UK.

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http://dx.doi.org/10.1093/nar/gkz613DOI Listing
September 2019

Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.

Proc Natl Acad Sci U S A 2019 04 20;116(14):7015-7020. Epub 2019 Mar 20.

Wellcome Centre for Anti-Infectives Research, Drug Discovery Unit, Division of Biological Chemistry and Drug Discovery, University of Dundee, DD1 5EH Dundee, United Kingdom;

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http://www.pnas.org/lookup/doi/10.1073/pnas.1814685116
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http://dx.doi.org/10.1073/pnas.1814685116DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6452685PMC
April 2019

A structural study of the complex between neuroepithelial cell transforming gene 1 (Net1) and RhoA reveals a potential anticancer drug hot spot.

J Biol Chem 2018 06 25;293(23):9064-9077. Epub 2018 Apr 25.

Pôle d'Expertise Biotechnologie, Chimie, Biologie, Institut de Recherches SERVIER, 78290 Croissy-sur-Seine, France

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http://dx.doi.org/10.1074/jbc.RA117.001123DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5995529PMC
June 2018

Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM.

Nucleic Acids Res 2016 Dec 15;44(21):10423-10436. Epub 2016 Jul 15.

Centre for Gene Regulation and Expression, School of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH, UK

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http://dx.doi.org/10.1093/nar/gkw637DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137418PMC
December 2016

Stepwise Simulation of 3,5-Dihydro-5-methylidene-4H-imidazol-4-one (MIO) Biogenesis in Histidine Ammonia-lyase.

Biochemistry 2016 10 10;55(41):5854-5864. Epub 2016 Oct 10.

Área de Farmacología, Departamento de Ciencias Biomédicas, Unidad Asociada al IQM-CSIC, Universidad de Alcalá , E-28805 Alcalá de Henares, Spain.

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http://dx.doi.org/10.1021/acs.biochem.6b00744DOI Listing
October 2016

Impact of Ser17 Phosphorylation on the Conformational Dynamics of the Oncoprotein MDM2.

Biochemistry 2016 05 18;55(17):2500-9. Epub 2016 Apr 18.

EaStCHEM School of Chemistry, The University of Edinburgh , Edinburgh, EH9 3FJ, United Kingdom.

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http://dx.doi.org/10.1021/acs.biochem.6b00127DOI Listing
May 2016

Elucidation of Ligand-Dependent Modulation of Disorder-Order Transitions in the Oncoprotein MDM2.

PLoS Comput Biol 2015 Jun 5;11(6):e1004282. Epub 2015 Jun 5.

EaStCHEM School of Chemistry, the University of Edinburgh, Edinburgh, United Kingdom.

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http://dx.doi.org/10.1371/journal.pcbi.1004282DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4457491PMC
June 2015

Unraveling the differences of the hydrolytic activity of Trypanosoma cruzi trans-sialidase and Trypanosoma rangeli sialidase: a quantum mechanics-molecular mechanics modeling study.

J Phys Chem B 2014 Jun 21;118(22):5807-16. Epub 2014 May 21.

Department of Chemistry, Quantum Theory Project, University of Florida , Gainesville, Florida 32611, United States.

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http://dx.doi.org/10.1021/jp412294rDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051249PMC
June 2014

Rationale for the opposite stereochemistry of the major monoadducts and interstrand crosslinks formed by mitomycin C and its decarbamoylated analogue at CpG steps in DNA and the effect of cytosine modification on reactivity.

Org Biomol Chem 2012 Feb 5;10(8):1543-52. Epub 2012 Jan 5.

Departamento de Farmacología, Universidad de Alcalá, E-28871 Alcalá de Henares, Madrid, Spain.

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http://dx.doi.org/10.1039/c1ob06675gDOI Listing
February 2012

Mechanistic insight into the catalytic activity of ββα-metallonucleases from computer simulations: Vibrio vulnificus periplasmic nuclease as a test case.

Chembiochem 2011 Nov 6;12(17):2615-22. Epub 2011 Oct 6.

Department of Pharmacology, Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain.

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http://dx.doi.org/10.1002/cbic.201100485DOI Listing
November 2011

Temperature-induced melting of double-stranded DNA in the absence and presence of covalently bonded antitumour drugs: insight from molecular dynamics simulations.

Nucleic Acids Res 2011 Oct 3;39(18):8248-57. Epub 2011 Jul 3.

Departamento de Farmacología, Universidad de Alcalá, E-28871 Alcalá de Henares, Madrid, Spain.

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http://dx.doi.org/10.1093/nar/gkr512DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3185422PMC
October 2011

XPF-dependent DNA breaks and RNA polymerase II arrest induced by antitumor DNA interstrand crosslinking-mimetic alkaloids.

Chem Biol 2011 Aug;18(8):988-99

Institut de Génétique et de Biologie Moléculaire et Cellulaire, CNRS/INSERM/UdS, BP 163, 67404 Illkirch Cedex, CU Strasbourg, France.

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http://dx.doi.org/10.1016/j.chembiol.2011.06.007DOI Listing
August 2011