List of works - Daniel Rauh

A Chemical Genetic Approach for Covalent Inhibition of Analogue-Sensitive Aurora Kinase

scientific article published on 01 February 2012

A New Approach for Probing the Mobility and Lifetime of Photogenerated Charge Carriers in Organic Solar Cells Under Real Operating Conditions

article

A Scaffold-Tree-Merging Strategy for Prospective Bioactivity Annotation of γ-Pyrones

scientific article published on 01 May 2010

A Synergistic Interaction between Chk1- and MK2 Inhibitors in KRAS-Mutant Cancer

scientific article

A cascade screening approach for the identification of Bcr-Abl myristate pocket binders active against wild type and T315I mutant

scientific article published on 18 June 2016

A framework for identification of actionable cancer genome dependencies in small cell lung cancer

scientific article

A new screening assay for allosteric inhibitors of cSrc

scientific article

A special thematic compilation/special issue crossover with Biochemistry, Journal of Medicinal Chemistry, and ACS Medicinal Chemistry Letters focused on kinases

scientific article published on 01 March 2014

ALK mutations conferring differential resistance to structurally diverse ALK inhibitors.

scientific article

ATP competitive inhibitors of D-alanine-D-alanine ligase based on protein kinase inhibitor scaffolds

scientific article published on 16 February 2008

An Unusual Intramolecular Halogen Bond guides Conformational Selection.

scientific article

An unbiased cell morphology-based screen for new, biologically active small molecules

scientific article

Analysis of compound synergy in high-throughput cellular screens by population-based lifetime modeling

scientific article

Augmented Reality in Scientific Publications - Taking the Visualization of 3D Structures to the Next Level

scientific article published on 12 December 2019

Augmented Reality in Scientific Publications-Taking the Visualization of 3D Structures to the Next Level

scientific article published on 01 March 2018

Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA

scientific article published in 2024

BSKs are partially redundant positive regulators of brassinosteroid signaling in Arabidopsis.

scientific article published on 15 April 2013

Bioactivity-guided mapping and navigation of chemical space.

scientific article

Cell-autonomous and non-cell-autonomous mechanisms of transformation by amplified FGFR1 in lung cancer

scientific article

Cellular model system to dissect the isoform-selectivity of Akt inhibitors

scientific article published on 06 September 2021

Change or be changed: reflections of the workshop 'Future in Medicinal Chemistry'.

scientific article published on 25 April 2012

Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7)

scientific article published on 31 May 2019

Characterization of irreversible kinase inhibitors by directly detecting covalent bond formation: a tool for dissecting kinase drug resistance

scientific article

Chemical Biology – Current and Next Challenges ⬇️

scientific article published on January 18, 2013

Chemical and structural biology to direct the repurposing of sulindac.

scientific article published in November 2009

Chemical modulation of transcription factors

scientific article published on 11 July 2018

Chemogenomic profiling provides insights into the limited activity of irreversible EGFR Inhibitors in tumor cells expressing the T790M EGFR resistance mutation

scientific article

Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma

scientific article

Conformational selection vs. induced fit: insights into the binding mechanisms of p38α MAP Kinase inhibitors

scientific article published on 01 August 2020

Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues

scientific article

Covalent Lipid Pocket Ligands Targeting p38α MAPK Mutants.

scientific article published on 23 August 2017

Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity

scientific article published on 08 November 2019

Covalent-Allosteric Kinase Inhibitors.

scientific article published on 25 June 2015

De Novo Design of Protein Kinase Inhibitors by in Silico Identification of Hinge Region-Binding Fragments

scientific article

Design, Synthesis, and Biological Evaluation of Novel Disubstituted Dibenzosuberones as Highly Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase ⬇️

scientific article published on June 15, 2012

Design, Synthesis, and Biological Evaluation of Novel Type I1/2 p38α MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.

scientific article published on 23 August 2017

Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors

scientific article

Direct binding assay for the detection of type IV allosteric inhibitors of Abl.

scientific article

Discovery of inter-domain stabilizers-a novel assay system for allosteric akt inhibitors.

scientific article

Epidermal growth factor receptor (EGFR) signaling and covalent EGFR inhibition in lung cancer

scientific article published on 20 August 2012

FLiK: a direct-binding assay for the identification and kinetic characterization of stabilizers of inactive kinase conformations

scientific article

Fluorescence labels in kinases: a high-throughput kinase binding assay for the identification of DFG-out binding ligands.

scientific article

Fluorophore Labeled Kinase Detects Ligands That Bind within the MAPK Insert of p38α Kinase

scientific article

Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations

scientific article

Frequent and focal FGFR1 amplification associates with therapeutically tractable FGFR1 dependency in squamous cell lung cancer.

scientific article

Highly Enantioselective Catalytic Synthesis of Neurite Growth-Promoting Secoyohimbanes

scientific article published on 01 April 2013

Highly enantioselective synthesis and cellular evaluation of spirooxindoles inspired by natural products

scientific article published on 11 July 2010

Hope and Disappointment: Covalent Inhibitors to Overcome Drug Resistance in Non-Small Cell Lung Cancer

scientific article published on 18 December 2015

Identification and further development of potent TBK1 inhibitors

scientific article published on January 2015

Identification of Ustilago maydis Aurora Kinase As a Novel Antifungal Target ⬇️

scientific article published on June 20, 2011

Identification of thiazolidinones spiro-fused to indolin-2-ones as potent and selective inhibitors of the Mycobacterium tuberculosis protein tyrosine phosphatase B.

scientific article published on August 2010

Identification of type II and III DDR2 inhibitors.

scientific article

Identifying genotype-dependent efficacy of single and combined PI3K- and MAPK-pathway inhibition in cancer

scientific article published on 05 October 2009

Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S

scientific article published on 04 October 2019

Inhibitors to Overcome Secondary Mutations in the Stem Cell Factor Receptor KIT.

scientific article

Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR

scientific article

Insights into the Kinetics of the Resistance Formation of Bacteria against Ciprofloxacin Poly(2-methyl-2-oxazoline) Conjugates

scientific article published on 11 July 2018

Integrative genome analyses identify key somatic driver mutations of small-cell lung cancer

scientific article

Interactive exploration of chemical space with Scaffold Hunter

scientific article

Intermittent high-dose treatment with erlotinib enhances therapeutic efficacy in EGFR-mutant lung cancer

scientific article

Lessons to be Learned: The Molecular Basis of Kinase-Targeted Therapies and Drug Resistance in Non-Small Cell Lung Cancer.

scientific article published on 27 November 2017

Linking chemistry and biology for the study of protein function

scientific article published in January 2007

Metabolically stable dibenzo[b,e]oxepin-11(6H)-ones as highly selective p38 MAP kinase inhibitors: optimizing anti-cytokine activity in human whole blood

scientific article

Monitoring Conformational Changes in the Receptor Tyrosine Kinase EGFR.

scientific article

Monitoring ligand-induced conformational changes for the identification of estrogen receptor agonists and antagonists

scientific article published on 09 February 2015

Mutations in the DDR2 kinase gene identify a novel therapeutic target in squamous cell lung cancer

scientific article

Natural-product-derived fragments for fragment-based ligand discovery

scientific article

Neuritogenic militarinone-inspired 4-hydroxypyridones target the stress pathway kinase MAP4K4

scientific article

New Cyanopeptide‐Derived Low MolecularWeight Thrombin Inhibitors ⬇️

scientific article published on August 1, 2003

Overcoming EGFR-mediated osimertinib resistance through unique binding characteristics of second-generation EGFR inhibitors

scientific article published in Nature Communications

Overcoming compound fluorescence in the FLiK screening assay with red-shifted fluorophores.

scientific article published on 24 May 2013

Persister state-directed transitioning and vulnerability in melanoma

scientific article published on 01 June 2022

Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib in KRAS-Mutant Pancreatic and Colorectal Cancer

scientific article published on 11 March 2019

Predicting drug susceptibility of non-small cell lung cancers based on genetic lesions

scientific article published on 18 May 2009

Proteus in the world of proteins: conformational changes in protein kinases.

scientific article published on April 2010

RAF kinase inhibitors in cancer treatment: like a bull in a China shop?

scientific article published on August 2010

RASPELD to Perform High-End Screening in an Academic Environment toward the Development of Cancer Therapeutics

article

Resistance to avapritinib in PDGFRA-driven GIST is caused by secondary mutations in the PDGFRA kinase domain

scientific article published on 24 September 2020

Selective detection of allosteric phosphatase inhibitors.

scientific article published on 26 April 2013

Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor ⬇️

scientific article published on December 25, 2011

Small-molecule inhibition of APT1 affects Ras localization and signaling

scientific article

Strategies for the selective regulation of kinases with allosteric modulators: exploiting exclusive structural features.

scientific article published on 31 December 2012

Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt

scientific article published on 13 February 2019

Structural characterization of the RLCK family member BSK8: a pseudokinase with an unprecedented architecture

scientific article

Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR

scientific article

Structure Defines Function: Clinically Relevant Mutations in ErbB Kinases

scientific article published on 28 August 2019

Structure-Guided Development of Covalent and Mutant-Selective Pyrazolopyrimidines to Target T790M Drug Resistance in Epidermal Growth Factor Receptor.

scientific article

Structure-based design and synthesis of covalent-reversible inhibitors to overcome drug resistance in EGFR.

scientific article published on 23 April 2015

Structure-based design, synthesis and biological evaluation of N-pyrazole, N'-thiazole urea inhibitors of MAP kinase p38α.

scientific article

Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38α MAPK.

scientific article published on 11 September 2017

Synthesis and biological evaluation of 7-substituted-1-(3-bromophenylamino)isoquinoline-4-carbonitriles as inhibitors of myosin light chain kinase and epidermal growth factor receptor

scientific article published on 10 November 2010

Synthesis of a cyanopeptide-analogue with trypsin activating properties

scientific article published on 01 April 2000

Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach

scientific article

Targeting GSK3 from Ustilago maydis: Type-II Kinase Inhibitors as Potential Antifungals ⬇️

scientific article published on May 15, 2012

Targeting Gain of Function and Resistance Mutations in Abl and KIT by Hybrid Compound Design ⬇️

scientific article published on July 10, 2013

Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38α Inhibitors ⬇️

scientific article published on August 29, 2012

Targeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent Inhibitors.

scientific article published on 21 February 2019

The therapeutic potential of phosphatase inhibitors

scientific article published on 04 May 2009

Trisubstituted Pyridinylimidazoles as Potent Inhibitors of the Clinically Resistant L858R/T790M/C797S EGFR Mutant: Targeting of Both Hydrophobic Regions and the Phosphate Binding Site.

scientific article

Trypsin mutants for structure-based drug design: expression, refolding and crystallisation.

scientific article published on July 2002

Tumor VEGF:VEGFR2 autocrine feed-forward loop triggers angiogenesis in lung cancer.

scientific article published on April 2013

Tumor VEGF:VEGFR2 autocrine feed-forward loop triggers angiogenesisin lung cancer

scientific article published in July 2013

Understanding protein-ligand interactions: the price of protein flexibility

scientific article

Using small molecules to target protein phosphatases

scientific article published in 2011

ZZ made EZ: influence of inhibitor configuration on enzyme selectivity.

scientific article published in July 2003

List of works by Daniel Rauh

A Chemical Genetic Approach for Covalent Inhibition of Analogue-Sensitive Aurora Kinase

A New Approach for Probing the Mobility and Lifetime of Photogenerated Charge Carriers in Organic Solar Cells Under Real Operating Conditions

A Scaffold-Tree-Merging Strategy for Prospective Bioactivity Annotation of γ-Pyrones

A Synergistic Interaction between Chk1- and MK2 Inhibitors in KRAS-Mutant Cancer

A cascade screening approach for the identification of Bcr-Abl myristate pocket binders active against wild type and T315I mutant

A framework for identification of actionable cancer genome dependencies in small cell lung cancer

A new screening assay for allosteric inhibitors of cSrc

A special thematic compilation/special issue crossover with Biochemistry, Journal of Medicinal Chemistry, and ACS Medicinal Chemistry Letters focused on kinases

ALK mutations conferring differential resistance to structurally diverse ALK inhibitors.

ATP competitive inhibitors of D-alanine-D-alanine ligase based on protein kinase inhibitor scaffolds

An Unusual Intramolecular Halogen Bond guides Conformational Selection.

An unbiased cell morphology-based screen for new, biologically active small molecules

Analysis of compound synergy in high-throughput cellular screens by population-based lifetime modeling

Augmented Reality in Scientific Publications - Taking the Visualization of 3D Structures to the Next Level

Augmented Reality in Scientific Publications-Taking the Visualization of 3D Structures to the Next Level

Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA

BSKs are partially redundant positive regulators of brassinosteroid signaling in Arabidopsis.

Bioactivity-guided mapping and navigation of chemical space.

Cell-autonomous and non-cell-autonomous mechanisms of transformation by amplified FGFR1 in lung cancer

Cellular model system to dissect the isoform-selectivity of Akt inhibitors

Change or be changed: reflections of the workshop 'Future in Medicinal Chemistry'.

Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7)

Characterization of irreversible kinase inhibitors by directly detecting covalent bond formation: a tool for dissecting kinase drug resistance

Chemical Biology – Current and Next Challenges ⬇️

Chemical and structural biology to direct the repurposing of sulindac.

Chemical modulation of transcription factors

Chemogenomic profiling provides insights into the limited activity of irreversible EGFR Inhibitors in tumor cells expressing the T790M EGFR resistance mutation

Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma

Conformational selection vs. induced fit: insights into the binding mechanisms of p38α MAP Kinase inhibitors

Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues

Covalent Lipid Pocket Ligands Targeting p38α MAPK Mutants.

Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity

Covalent-Allosteric Kinase Inhibitors.

De Novo Design of Protein Kinase Inhibitors by in Silico Identification of Hinge Region-Binding Fragments

Design, Synthesis, and Biological Evaluation of Novel Disubstituted Dibenzosuberones as Highly Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase ⬇️

Design, Synthesis, and Biological Evaluation of Novel Type I1/2 p38α MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.

Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors

Direct binding assay for the detection of type IV allosteric inhibitors of Abl.

Discovery of inter-domain stabilizers-a novel assay system for allosteric akt inhibitors.

Epidermal growth factor receptor (EGFR) signaling and covalent EGFR inhibition in lung cancer

FLiK: a direct-binding assay for the identification and kinetic characterization of stabilizers of inactive kinase conformations

Fluorescence labels in kinases: a high-throughput kinase binding assay for the identification of DFG-out binding ligands.

Fluorophore Labeled Kinase Detects Ligands That Bind within the MAPK Insert of p38α Kinase

Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations

Frequent and focal FGFR1 amplification associates with therapeutically tractable FGFR1 dependency in squamous cell lung cancer.

Highly Enantioselective Catalytic Synthesis of Neurite Growth-Promoting Secoyohimbanes

Highly enantioselective synthesis and cellular evaluation of spirooxindoles inspired by natural products

Hope and Disappointment: Covalent Inhibitors to Overcome Drug Resistance in Non-Small Cell Lung Cancer

Identification and further development of potent TBK1 inhibitors

Identification of Ustilago maydis Aurora Kinase As a Novel Antifungal Target ⬇️

Identification of thiazolidinones spiro-fused to indolin-2-ones as potent and selective inhibitors of the Mycobacterium tuberculosis protein tyrosine phosphatase B.

Identification of type II and III DDR2 inhibitors.

Identifying genotype-dependent efficacy of single and combined PI3K- and MAPK-pathway inhibition in cancer

Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S

Inhibitors to Overcome Secondary Mutations in the Stem Cell Factor Receptor KIT.

Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR

Insights into the Kinetics of the Resistance Formation of Bacteria against Ciprofloxacin Poly(2-methyl-2-oxazoline) Conjugates

Integrative genome analyses identify key somatic driver mutations of small-cell lung cancer

Interactive exploration of chemical space with Scaffold Hunter

Intermittent high-dose treatment with erlotinib enhances therapeutic efficacy in EGFR-mutant lung cancer

Lessons to be Learned: The Molecular Basis of Kinase-Targeted Therapies and Drug Resistance in Non-Small Cell Lung Cancer.

Linking chemistry and biology for the study of protein function

Metabolically stable dibenzo[b,e]oxepin-11(6H)-ones as highly selective p38 MAP kinase inhibitors: optimizing anti-cytokine activity in human whole blood

Monitoring Conformational Changes in the Receptor Tyrosine Kinase EGFR.

Monitoring ligand-induced conformational changes for the identification of estrogen receptor agonists and antagonists

Mutations in the DDR2 kinase gene identify a novel therapeutic target in squamous cell lung cancer

Natural-product-derived fragments for fragment-based ligand discovery

Neuritogenic militarinone-inspired 4-hydroxypyridones target the stress pathway kinase MAP4K4

New Cyanopeptide‐Derived Low MolecularWeight Thrombin Inhibitors ⬇️

Overcoming EGFR-mediated osimertinib resistance through unique binding characteristics of second-generation EGFR inhibitors

Overcoming compound fluorescence in the FLiK screening assay with red-shifted fluorophores.

Persister state-directed transitioning and vulnerability in melanoma

Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib in KRAS-Mutant Pancreatic and Colorectal Cancer

Predicting drug susceptibility of non-small cell lung cancers based on genetic lesions

Proteus in the world of proteins: conformational changes in protein kinases.

RAF kinase inhibitors in cancer treatment: like a bull in a China shop?

RASPELD to Perform High-End Screening in an Academic Environment toward the Development of Cancer Therapeutics

Resistance to avapritinib in PDGFRA-driven GIST is caused by secondary mutations in the PDGFRA kinase domain

Selective detection of allosteric phosphatase inhibitors.