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Mass spectrometry for fragment screening

Essays in biochemistry, 2017-11, Vol.61 (5), p.465-473

2017

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Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen

Journal of medicinal chemistry, 2017-01, Vol.60 (1), p.180-201

2017

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The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery

Essays in biochemistry, 2017-11, Vol.61 (5), p.495-503

2017

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Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays

Scientific reports, 2022-11, Vol.12 (1), p.18633-18633, Article 18633

2022

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Structure of the Epigenetic Oncogene MMSET and Inhibition by N‑Alkyl Sinefungin Derivatives

ACS chemical biology, 2016-11, Vol.11 (11), p.3093-3105

2016

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Crystal structure and assembly of a eukaryotic small heat shock protein

Nature structural & molecular biology, 2001-12, Vol.8 (12), p.1025-1030

2001

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Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of HSP70

Journal of medicinal chemistry, 2016-05, Vol.59 (10), p.4625-4636

2016

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Evaluation of APOBEC3B Recognition Motifs by NMR Reveals Preferred Substrates

ACS chemical biology, 2018-09, Vol.13 (9), p.2427-2432

2018

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NMR in structure-based drug design

Essays in biochemistry, 2017-11, Vol.61 (5), p.485-493

2017

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Rapid Discovery of Pyrido[3,4‑d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach

Journal of medicinal chemistry, 2016-04, Vol.59 (8), p.3671-3688

2016

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Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo

Journal of medicinal chemistry, 2022-06, Vol.65 (12), p.8191-8207

2022

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Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitors

Journal of chemical information and modeling, 2013-05, Vol.53 (5), p.1100-1112

2013

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Benzimidazole Inhibitors Induce a DFG-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure−Activity Relationship

Journal of medicinal chemistry, 2011-03, Vol.54 (6), p.1626-1639

2011

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Structure-Based Design of Orally Bioavailable 1 H -Pyrrolo[3,2- c ]pyridine Inhibitors of Mitotic Kinase Monopolar Spindle 1 (MPS1)

Journal of medicinal chemistry, 2013-12, Vol.56 (24), p.10045-10065

2013

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Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance

Cancer research (Chicago, Ill.), 2015-08, Vol.75 (16), p.3340-3354

2015

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A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms

Scientific reports, 2016-10, Vol.6 (1), p.34701-34701, Article 34701

2016

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Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: SAR and Structural Characterization

Journal of medicinal chemistry, 2010-11, Vol.53 (21), p.7682-7698

2010

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Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors

Journal of medicinal chemistry, 2006-02, Vol.49 (4), p.1346-1355

2006

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Synthesis of a Ribose-Incorporating Medium Ring Scaffold via a Challenging Ring-Closing Metathesis Reaction

European journal of organic chemistry, 2016-09, Vol.2016 (26), p.4496-4507

2016

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Privileged Structures and Polypharmacology within and between Protein Families

ACS medicinal chemistry letters, 2018-12, Vol.9 (12), p.1199-1204

2018

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Structure-Guided Evolution of Potent and Selective CHK1 Inhibitors through Scaffold Morphing

Journal of medicinal chemistry, 2011-12, Vol.54 (24), p.8328-8342

2011

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Analysis of water patterns in protein kinase binding sites

Proteins, structure, function, and bioinformatics, 2011-07, Vol.79 (7), p.2109-2121

2011

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iTAG an optimized IMiD-induced degron for targeted protein degradation in human and murine cells

iScience, 2024-05, Vol.27 (5), p.109727, Article 109727

2024

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Mass spectrometry for fragment screening

Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen

The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery

Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays

Structure of the Epigenetic Oncogene MMSET and Inhibition by N‑Alkyl Sinefungin Derivatives

Crystal structure and assembly of a eukaryotic small heat shock protein

Discovery of an In Vivo Chemical Probe for BCL6 Inhibition by Optimization of Tricyclic Quinolinones

Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of HSP70

Evaluation of APOBEC3B Recognition Motifs by NMR Reveals Preferred Substrates

NMR in structure-based drug design

Rapid Discovery of Pyrido[3,4‑d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach

Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo

Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitors

Benzimidazole Inhibitors Induce a DFG-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure−Activity Relationship

Structure-Based Design of Orally Bioavailable 1 H -Pyrrolo[3,2- c ]pyridine Inhibitors of Mitotic Kinase Monopolar Spindle 1 (MPS1)

Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance

A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms

Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: SAR and Structural Characterization

Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)‑5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737)

Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors

Synthesis of a Ribose-Incorporating Medium Ring Scaffold via a Challenging Ring-Closing Metathesis Reaction

Privileged Structures and Polypharmacology within and between Protein Families

Structure-Guided Evolution of Potent and Selective CHK1 Inhibitors through Scaffold Morphing

Analysis of water patterns in protein kinase binding sites

iTAG an optimized IMiD-induced degron for targeted protein degradation in human and murine cells

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