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Protein structure-based drug design: from docking to molecular dynamics

Current opinion in structural biology, 2018-02, Vol.48, p.93-102

2018

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Structural insights into the molecular mechanism of the m(6)A writer complex

eLife, 2016-09, Vol.5

2016

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Small‐Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer

ChemMedChem, 2020-05, Vol.15 (9), p.744-748

2020

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Deep classification of a large cryo-EM dataset defines the conformational landscape of the 26S proteasome

Proceedings of the National Academy of Sciences - PNAS, 2014-04, Vol.111 (15), p.5544-5549

2014

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Structure of the 26S proteasome with ATP-γS bound provides insights into the mechanism of nucleotide-dependent substrate translocation

Proceedings of the National Academy of Sciences - PNAS, 2013-04, Vol.110 (18), p.7264-7269

2013

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A three-stage biophysical screening cascade for fragment-based drug discovery

Nature protocols, 2013-11, Vol.8 (11), p.2309-2324

2013

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Structure-Driven Developments of 26S Proteasome Inhibitors

Annual review of pharmacology and toxicology, 2016-01, Vol.56 (1), p.191-209

2016

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Crystal structure of the proteasomal deubiquitylation module Rpn8-Rpn11

Proceedings of the National Academy of Sciences - PNAS, 2014-02, Vol.111 (8), p.2984-2989

2014

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Using Ligand-Mapping Simulations to Design a Ligand Selectively Targeting a Cryptic Surface Pocket of Polo-Like Kinase 1

Angewandte Chemie (International ed.), 2012-10, Vol.51 (40), p.10078-10081

2012

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Rational Design and Evaluation of Upgraded Grubbs/Hoveyda Olefin Metathesis Catalysts: Polyfunctional Benzylidene Ethers on the Test Bench

Organometallics, 2011-08, Vol.30 (15), p.4144-4158

2011

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Ligand retargeting by binding site analogy

European journal of medicinal chemistry, 2019-08, Vol.175, p.107-113

2019

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High-Throughput Interrogation of Ligand Binding Mode Using a Fluorescence-Based Assay

Angewandte Chemie (International ed.), 2012-07, Vol.51 (31), p.7680-7683

International ed. in English, 2012

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From Crystal Packing to Molecular Recognition: Prediction and Discovery of a Binding Site on the Surface of Polo-Like Kinase 1

Angewandte Chemie (International ed.), 2011-04, Vol.50 (17), p.4003-4006

International ed. in English, 2011

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Understanding the mechanism of action of pyrrolo[3,2-]quinoxaline-derivatives as kinase inhibitors

RSC medicinal chemistry, 2020-06, Vol.11 (6), p.665-675

2020

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New surface contacts formed upon reductive lysine methylation: Improving the probability of protein crystallization

Protein science, 2010-07, Vol.19 (7), p.1395-1404

2010

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Olefin metathesis in ionic liquids

Chemical Society reviews, 2008-11, Vol.37 (11), p.2433-2442

2008

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Structural insights into the molecular mechanism of the m.sup.6A writer complex

eLife, 2016-09, Vol.5

2016

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Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif

Journal of chemical theory and computation, 2019-12, Vol.15 (12), p.7004-7014

2019

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Unveiling the Long-Held Secrets of the 26S Proteasome

Structure (London), 2013-09, Vol.21 (9), p.1551-1562

2013

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Bis- and Tris(tetraazamacrocyclic) Copper Complexes with Disulfide Linkers

European Journal of Inorganic Chemistry, 2008-05, Vol.2008 (14), p.2295-2301

2008

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Molecular basis for cytoplasmic RNA surveillance by uridylation-triggered decay in Drosophila

The EMBO journal, 2016-11, Vol.35 (22), p.2417-2434

2016

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Abstract B182: The novel tyrosine kinase inhibitors UJ26 and UJ30 are active in solid tumor and hematologic cancer cell lines

Molecular cancer therapeutics, 2018-01, Vol.17 (1_Supplement), p.B182-B182

2018

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Selectively Disrupting m 6 A-Dependent Protein-RNA Interactions with Fragments

ACS chemical biology, 2020-03, Vol.15 (3), p.618-625

2020

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Selectively Disrupting m6A‑Dependent Protein–RNA Interactions with Fragments

ACS chemical biology, 2020-03, Vol.15 (3), p.618-625

2020

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Optimization of the Interligand Overhauser Effect for Fragment Linking: Application to Inhibitor Discovery against Mycobacterium tuberculosis Pantothenate Synthetase

Journal of the American Chemical Society, 2010-04, Vol.132 (13), p.4544-4545

2010

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Protein structure-based drug design: from docking to molecular dynamics

Structural insights into the molecular mechanism of the m(6)A writer complex

Small‐Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer

Deep classification of a large cryo-EM dataset defines the conformational landscape of the 26S proteasome

Structure of the 26S proteasome with ATP-γS bound provides insights into the mechanism of nucleotide-dependent substrate translocation

A three-stage biophysical screening cascade for fragment-based drug discovery

Structure-Driven Developments of 26S Proteasome Inhibitors

Crystal structure of the proteasomal deubiquitylation module Rpn8-Rpn11

Using Ligand-Mapping Simulations to Design a Ligand Selectively Targeting a Cryptic Surface Pocket of Polo-Like Kinase 1

Rational Design and Evaluation of Upgraded Grubbs/Hoveyda Olefin Metathesis Catalysts: Polyfunctional Benzylidene Ethers on the Test Bench

Ligand retargeting by binding site analogy

High-Throughput Interrogation of Ligand Binding Mode Using a Fluorescence-Based Assay

From Crystal Packing to Molecular Recognition: Prediction and Discovery of a Binding Site on the Surface of Polo-Like Kinase 1

Understanding the mechanism of action of pyrrolo[3,2-]quinoxaline-derivatives as kinase inhibitors

New surface contacts formed upon reductive lysine methylation: Improving the probability of protein crystallization

Olefin metathesis in ionic liquids

Structural insights into the molecular mechanism of the m.sup.6A writer complex

Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif

Unveiling the Long-Held Secrets of the 26S Proteasome

Bis- and Tris(tetraazamacrocyclic) Copper Complexes with Disulfide Linkers

Molecular basis for cytoplasmic RNA surveillance by uridylation-triggered decay in Drosophila

Abstract B182: The novel tyrosine kinase inhibitors UJ26 and UJ30 are active in solid tumor and hematologic cancer cell lines

Selectively Disrupting m 6 A-Dependent Protein-RNA Interactions with Fragments

Selectively Disrupting m6A‑Dependent Protein–RNA Interactions with Fragments

Optimization of the Interligand Overhauser Effect for Fragment Linking: Application to Inhibitor Discovery against Mycobacterium tuberculosis Pantothenate Synthetase

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