S. Hoelder

发表

Discovery of small molecule cancer drugs: Successes, challenges and opportunities

P. Workman, P. Clarke, S. Hoelder, 2012, Molecular oncology.

Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening

S. Knapp, O. Fedorov, P. Filippakopoulos, 2013, Journal of medicinal chemistry.

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.

R. V. van Montfort, K. Boxall, G. Aherne, 2011, Journal of medicinal chemistry.

Characterisation of CCT271850, a selective, oral and potent MPS1 inhibitor, used to directly measure in vivo MPS1 inhibition vs therapeutic efficacy

A. Faisal, M. Valenti, A. K. de Haven Brandon, 2017, British Journal of Cancer.

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

R. V. van Montfort, A. Faisal, N. Cronin, 2016, Journal of medicinal chemistry.

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

R. V. van Montfort, P. Workman, A. Faisal, 2015, Cancer research.

DETAILS Project Title : Design and synthesis of dual inhibitors of the ALK kinase and the BRD 4 bromodomain to target high risk neuroblastoma SUPERVISORY TEAM Primary

S. Hoelder, 2014 .

Solution structure of the Hop TPR2A domain and investigation of target druggability by NMR, biochemical and in silico approaches

B. Al-Lazikani, L. Pearl, P. Simpson, 2020, Scientific Reports.

Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors

O. Rossanese, Benjamin R Bellenie, R. V. van Montfort, 2022, Journal of medicinal chemistry.

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

O. Rossanese, Benjamin R Bellenie, R. V. van Montfort, 2022, Journal of medicinal chemistry.

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

O. Rossanese, Benjamin R Bellenie, R. V. van Montfort, 2021, Journal of medicinal chemistry.

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

O. Rossanese, Benjamin R Bellenie, R. V. van Montfort, 2022, Scientific Reports.

Two-step synthesis of aza- and diazaindoles from chloroamino-N-heterocycles using ethoxyvinylborolane.

S. Hoelder, D. Whelligan, Dawn Taylor, 2010, The Journal of organic chemistry.

Expanding the scope of fused pyrimidines as kinase inhibitor scaffolds: synthesis and modification of pyrido[3,4-d]pyrimidines.

P. Innocenti, S. Hoelder, H. Woodward, 2015, Organic & biomolecular chemistry.

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

Caterina Barillari, Ian Collins, Samantha Burns, 2010, Journal of medicinal chemistry.

Structure‐Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1

M. Tortorici, S. Hoelder, L. Vidler, 2017, Chemistry.

Fragment-based hit identification: thinking in 3D.

Nathan Brown, Steven V Ley, Kristian Birchall, 2013, Drug discovery today.

Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity

S. Knapp, Benjamin R Bellenie, K. Strebhardt, 2019, Journal of medicinal chemistry.

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

O. Rossanese, Benjamin R Bellenie, R. V. van Montfort, 2020, Journal of medicinal chemistry.

An Autoinhibitory Tyrosine Motif in the Cell-Cycle-Regulated Nek7 Kinase Is Released through Binding of Nek9

R. Bayliss, A. Fry, S. Hoelder, 2009, Molecular cell.

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

F. Holding, V. Berdini, M. Tortorici, 2016, ACS chemical biology.

Synthesis of amino-substituted indoles using the Bartoli reaction.

P. Innocenti, S. Hoelder, D. Whelligan, 2012, Organic & biomolecular chemistry.

High Proliferation Rate and a Compromised Spindle Assembly Checkpoint Confers Sensitivity to the MPS1 Inhibitor BOS172722 in Triple-Negative Breast Cancers

R. V. van Montfort, A. Faisal, F. Raynaud, 2019, Molecular Cancer Therapeutics.

Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2

Ian Collins, Isaac M. Westwood, Nathan Brown, 2013, PloS one.

NMR characterization of kinase p38 dynamics in free and ligand-bound forms.

Harald Schwalbe, Martin Vogtherr, Ulrich Schieborr, 2006, Angewandte Chemie.

Design of potent and selective hybrid inhibitors of the mitotic kinase Nek2: structure-activity relationship, structural biology, and cellular activity.

K. Boxall, G. Aherne, R. Bayliss, 2012, Journal of medicinal chemistry.

Introduction of a Methyl Group Curbs Metabolism of Pyrido[3,4-d]pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate N2-(2-Ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-6-methyl-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine (BOS172722)

R. V. van Montfort, A. Faisal, N. Cronin, 2018, Journal of medicinal chemistry.

Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B

Lewis R. Vidler, Stefan Knapp, Susanne Müller, 2015, Journal of medicinal chemistry.

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

Isaac M. Westwood, Julian Blagg, Florence I. Raynaud, 2013, Journal of medicinal chemistry.

Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure–Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept

A. Bullock, S. Hoelder, S. Vázquez, 2018, Journal of medicinal chemistry.

Structural Separation of Biological Activities of Jasmonates and Related Compounds.

M. Zenk, H. Gundlach, E. Weiler, 1998 .

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

O. Rossanese, Benjamin R Bellenie, R. V. van Montfort, 2023, Journal of Medicinal Chemistry.

Project details Project title : Exploring the differences in the structural characterisation of inhibitor binding between cryo-and room-temperature using multicrystal X-ray crystallography Supervisory team

S. Hoelder, 2022 .

Characterisation of CCT271850, a selective, oral and potent MPS1 inhibitor, used to directly measure in vivo MPS1 inhibition vs therapeutic efficacy

A. Faisal, M. Valenti, A. K. de Haven Brandon, 2017, British Journal of Cancer.

Druggability Analysis and Structural Classification of Bromodomain Acetyl-lysine Binding Sites

Nathan Brown, Lewis R. Vidler, Stefan Knapp, 2012, Journal of medicinal chemistry.

Determination of Ligand-Binding Affinity (Kd) Using Transverse Relaxation Rate (R2) in the Ligand-Observed 1H NMR Experiment and Applications to Fragment-Based Drug Discovery.

Benjamin R Bellenie, R. V. van Montfort, A. Mirza, 2023, Journal of medicinal chemistry.

A RIPK1-specific PROTAC degrader achieves potent antitumor activity by enhancing immunogenic cell death.

V. Roulstone, T. Tenev, S. Hoelder, 2024, Immunity.

Abstract 5450: Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug-resistance

P. Workman, A. Faisal, K. Boxall, 2015 .