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Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs

Marine drugs, 2023-01, Vol.21 (2), p.100

Gago, Federico

2023

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On the Need to Tell Apart Fraternal Twins eEF1A1 and eEF1A2, and Their Respective Outfits

International journal of molecular sciences, 2021-06, Vol.22 (13), p.6973

2021

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Insight into the sequence-specific elements leading to increased DNA bending and ligase-mediated circularization propensity by antitumor trabectedin

Journal of computer-aided molecular design, 2021-06, Vol.35 (6), p.707-719

2021

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Atomistic insight into sequence-directed DNA bending and minicircle formation propensity in the absence and presence of phased A-tracts

Journal of computer-aided molecular design, 2020-03, Vol.34 (3), p.253-265

2020

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Structural Landscape of the Transition from an ssDNA Dumbbell Plus Its Complementary Hairpin to a dsDNA Microcircle Via a Kissing Loop Intermediate

Molecules (Basel, Switzerland), 2021-05, Vol.26 (10), p.3017

2021

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The dual role of thymidine phosphorylase in cancer development and chemotherapy

Medicinal research reviews, 2009-11, Vol.29 (6), p.903-953

2009

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Recognition and Activation of the Plant AKT1 Potassium Channel by the Kinase CIPK23

Plant physiology (Bethesda), 2020-04, Vol.182 (4), p.2143-2153

2020

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A distinctive family of L,D-transpeptidases catalyzing L-Ala-mDAP crosslinks in Alpha- and Betaproteobacteria

Nature communications, 2024-02, Vol.15 (1), p.1343-1343, Article 1343

2024

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Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H1

Journal of computer-aided molecular design, 2020-10, Vol.34 (10), p.1045-1062

2020

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Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2′-deoxyribosyltransferase from Chroococcidiopsis thermalis

Applied microbiology and biotechnology, 2018-08, Vol.102 (16), p.6947-6957

2018

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Translation Elongation Factor eEF1A2 is a Novel Anticancer Target for the Marine Natural Product Plitidepsin

Scientific reports, 2016-10, Vol.6 (1), p.35100-35100, Article 35100

2016

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Insertion of an Amphipathic Linker in a Tetrapodal Tryptophan Derivative Leads to a Novel and Highly Potent Entry Inhibitor of Enterovirus A71 Clinical Isolates

International journal of molecular sciences, 2023-02, Vol.24 (4), p.3539

2023

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Viral engagement with host receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid

PLoS pathogens, 2019-05, Vol.15 (5), p.e1007760-e1007760

2019

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High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design

Scientific reports, 2018-03, Vol.8 (1), p.4242-17, Article 4242

2018

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Structural insight into the stabilization of microtubules by taxanes

eLife, 2023-03, Vol.12

2023

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Tubulin-based structure-affinity relationships for antimitotic Vinca alkaloids

Anti-cancer agents in medicinal chemistry, 2012-03, Vol.12 (3), p.219

2012

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Enzymatic Synthesis of Therapeutic Nucleosides using a Highly Versatile Purine Nucleoside 2’‐DeoxyribosylTransferase from Trypanosoma brucei

ChemCatChem, 2018-10, Vol.10 (19), p.4406-4416

2018

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Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B

Journal of computer-aided molecular design, 2017-10, Vol.31 (10), p.915-928

2017

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Molecular basis of the final step of cell division in Streptococcus pneumoniae

Cell reports (Cambridge), 2023-07, Vol.42 (7), p.112756-112756, Article 112756

2023

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

Nucleic acids research, 2011-10, Vol.39 (18), p.8248

2011

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Cross-talk between nucleotide excision and homologous recombination DNA repair pathways in the mechanism of action of antitumor trabectedin

Cancer research (Chicago, Ill.), 2006-08, Vol.66 (16), p.8155-8162

2006

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Synthesis and Cytotoxicity of 7,9- O -Linked Macrocyclic C-Seco Taxoids

Molecules (Basel, Switzerland), 2019-06, Vol.24 (11), p.2161

2019

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Structural and mechanistic insight into DNA bending by antitumour calicheamicins

Organic & biomolecular chemistry, 2021-08, Vol.19 (3), p.677-6717

2021

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Hakin-1, a New Specific Small-Molecule Inhibitor for the E3 Ubiquitin-Ligase Hakai, Inhibits Carcinoma Growth and Progression

Cancers, 2020-05, Vol.12 (5), p.1340

2020

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(F)uridylylated Peptides Linked to VPg1 of Foot-and- Mouth Disease Virus (FMDV): Design, Synthesis and X-Ray Crystallography of the Complexes with FMDV RNA-Dependent RNA Polymerase

Molecules (Basel, Switzerland), 2019-06, Vol.24 (13), p.2360

2019

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Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs

On the Need to Tell Apart Fraternal Twins eEF1A1 and eEF1A2, and Their Respective Outfits

Insight into the sequence-specific elements leading to increased DNA bending and ligase-mediated circularization propensity by antitumor trabectedin

Atomistic insight into sequence-directed DNA bending and minicircle formation propensity in the absence and presence of phased A-tracts

Structural Landscape of the Transition from an ssDNA Dumbbell Plus Its Complementary Hairpin to a dsDNA Microcircle Via a Kissing Loop Intermediate

The dual role of thymidine phosphorylase in cancer development and chemotherapy

Recognition and Activation of the Plant AKT1 Potassium Channel by the Kinase CIPK23

A distinctive family of L,D-transpeptidases catalyzing L-Ala-mDAP crosslinks in Alpha- and Betaproteobacteria

Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H1

Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2′-deoxyribosyltransferase from Chroococcidiopsis thermalis

Translation Elongation Factor eEF1A2 is a Novel Anticancer Target for the Marine Natural Product Plitidepsin

Insertion of an Amphipathic Linker in a Tetrapodal Tryptophan Derivative Leads to a Novel and Highly Potent Entry Inhibitor of Enterovirus A71 Clinical Isolates

Viral engagement with host receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid

High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design

Structural insight into the stabilization of microtubules by taxanes

Tubulin-based structure-affinity relationships for antimitotic Vinca alkaloids

Enzymatic Synthesis of Therapeutic Nucleosides using a Highly Versatile Purine Nucleoside 2’‐DeoxyribosylTransferase from Trypanosoma brucei

Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B

Molecular basis of the final step of cell division in Streptococcus pneumoniae

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

Cross-talk between nucleotide excision and homologous recombination DNA repair pathways in the mechanism of action of antitumor trabectedin

Synthesis and Cytotoxicity of 7,9- O -Linked Macrocyclic C-Seco Taxoids

Structural and mechanistic insight into DNA bending by antitumour calicheamicins

Hakin-1, a New Specific Small-Molecule Inhibitor for the E3 Ubiquitin-Ligase Hakai, Inhibits Carcinoma Growth and Progression

(F)uridylylated Peptides Linked to VPg1 of Foot-and- Mouth Disease Virus (FMDV): Design, Synthesis and X-Ray Crystallography of the Complexes with FMDV RNA-Dependent RNA Polymerase

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