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Drugging the PI3 Kinome: From Chemical Tools to Drugs in the Clinic

Cancer research (Chicago, Ill.), 2010-03, Vol.70 (6), p.2146-2157

2010

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An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine‐56

Angewandte Chemie International Edition, 2017-03, Vol.56 (13), p.3536-3540

International ed. in English, 2017

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Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B

Nature (London), 2003-06, Vol.423 (6941), p.773-777

2003

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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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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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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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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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Structure-based design of molecular cancer therapeutics

Trends in biotechnology (Regular ed.), 2009-05, Vol.27 (5), p.315-328

2009

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Structure-Based Design of Orally Bioavailable 1H‑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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Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders

Journal of medicinal chemistry, 2020-04, Vol.63 (8), p.4047-4068

2020

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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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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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Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket

Journal of medicinal chemistry, 2021-12, Vol.64 (23), p.17079-17097

2021

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Fragment-based screening maps inhibitor interactions in the ATP-binding site of checkpoint kinase 2

PloS one, 2013-06, Vol.8 (6), p.e65689-e65689

2013

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A Degron Blocking Strategy Towards Improved CRL4CRBN Recruiting PROTAC Selectivity

Chembiochem : a European journal of chemical biology, 2023-12, Vol.24 (23), p.e202300351-e202300351

2023

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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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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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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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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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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-based drug design: aiming for a perfect fit

Essays in biochemistry, 2017-11, Vol.61 (5), p.431-437

2017

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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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Drugging the PI3 Kinome: From Chemical Tools to Drugs in the Clinic

An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine‐56

Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B

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

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

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

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

Structure-based design of molecular cancer therapeutics

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

Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders

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

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

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

Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket

Fragment-based screening maps inhibitor interactions in the ATP-binding site of checkpoint kinase 2

A Degron Blocking Strategy Towards Improved CRL4CRBN Recruiting PROTAC Selectivity

Evaluation of APOBEC3B Recognition Motifs by NMR Reveals Preferred Substrates

Analysis of water patterns in protein kinase binding sites

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

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

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

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)

Structure-based drug design: aiming for a perfect fit

Privileged Structures and Polypharmacology within and between Protein Families

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