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Author Details

Peter Kolb
Institut fur Pharmazeutische Chemie, Philipps-Universitat Marburg
1996
65
26
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36351797The Isoleucine at Position 118 in Transmembrane 2 Is Responsible for the Selectivity of Xamoterol, Nebivolol, and ICI89406 for the Human <i>β</i>1-Adrenoceptor.Mol Pharmacol2023
37290182Structure-based discovery of novel cruzain inhibitors with distinct trypanocidal activity profiles.Eur J Med Chem2023
36410167Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.Eur J Med Chem2023
35106752Community guidelines for GPCR ligand bias: IUPHAR review 32.Br J Pharmacol2022
35538063The pocketome of G-protein-coupled receptors reveals previously untargeted allosteric sites.Nat Commun2022
36402762How Carvedilol activates β<sub>2</sub>-adrenoceptors.Nat Commun2022
35933013Isoforms of GPR35 have distinct extracellular N-termini that allosterically modify receptor-transducer coupling and mediate intracellular pathway bias.J Biol Chem2022
35863587Allosteric modulation of GPCRs: From structural insights to in silico drug discovery.Pharmacol Ther2022
34357063<i>In Vitro</i> Measurements of Cellular Forces and their Importance in the Lung-From the Sub- to the Multicellular Scale.Life (Basel)2021
33764612Systematic investigation of PRMT6 substrate recognition reveals broad specificity with a preference for an RG motif or basic and bulky residues.FEBS J2021
33530327Analyzing Kinase Similarity in Small Molecule and Protein Structural Space to Explore the Limits of Multi-Target Screening.Molecules2021
34851820Disentangling bias between G<sub>q</sub>, GRK2, and arrestin3 recruitment to the M<sub>3</sub> muscarinic acetylcholine receptor.Elife2021
34550124Fragment evolution for GPCRs: the role of secondary binding sites in optimization.Chem Commun (Camb)2021
32296774The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling.ACS Pharmacol Transl Sci2020
32977721Structure-Based Discovery of Novel Ligands for the Orexin 2 Receptor.J Med Chem2020
32661425GPCRmd uncovers the dynamics of the 3D-GPCRome.Nat Methods2020
32704182Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome.Nat Methods2020
32669442Structure-based development of a subtype-selective orexin 1 receptor antagonist.Proc Natl Acad Sci U S A2020
32112287A Taxicab geometry quantification system to evaluate the performance of in silico methods: a case study on adenosine receptors ligands.J Comput Aided Mol Des2020
32301583A Focus on Unusual ECL2 Interactions Yields β<sub>2</sub> -Adrenergic Receptor Antagonists with Unprecedented Scaffolds.ChemMedChem2020
30624918Virtual Compound Libraries in Computer-Assisted Drug Discovery.J Chem Inf Model2019
31624135Comparative Docking to Distinct G Protein-Coupled Receptor Conformations Exclusively Yields Ligands with Agonist Efficacy.Mol Pharmacol2019
31277259Guava (<i>Psidium guajava</i>) Fruit Extract Prepared by Supercritical CO<sub>2</sub> Extraction Inhibits Intestinal Glucose Resorption in a Double-Blind, Randomized Clinical Study.Nutrients2019
30890659Direct targeting of Gα<sub>q</sub> and Gα<sub>11</sub> oncoproteins in cancer cells.Sci Signal2019
31113876Interrogating dense ligand chemical space with a forward-synthetic library.Proc Natl Acad Sci U S A2019
29056499The allosteric site regulates the voltage sensitivity of muscarinic receptors.Cell Signal2018
29364664Binding-Site Compatible Fragment Growing Applied to the Design of β<sub>2</sub>-Adrenergic Receptor Ligands.J Med Chem2018
29469969Nanobody-Enabled Reverse Pharmacology on G-Protein-Coupled Receptors.Angew Chem Int Ed Engl2018
28007960PrenDB, a Substrate Prediction Database to Enable Biocatalytic Use of Prenyltransferases.J Biol Chem2017
28419094An open source pharma roadmap.PLoS Med2017
29226078Identification and <i>in silico</i> structural analysis of <i>Gallus gallus</i> protein arginine methyltransferase 4 (PRMT4).FEBS Open Bio2017
28523097Similarity- and Substructure-Based Development of β<sub>2</sub>-Adrenergic Receptor Ligands Based on Unusual Scaffolds.ACS Med Chem Lett2017
26821135Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry.Drug Discov Today2016
2927080411th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.J Cheminform2016
26582911The quorum-sensing regulator ComA from Bacillus subtilis activates transcription using topologically distinct DNA motifs.Nucleic Acids Res2016
27155948GPCRdb: the G protein-coupled receptor database - an introduction.Br J Pharmacol2016
26990027Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics.ChemMedChem2016
26907157Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation.Eur J Med Chem2016
25398025Identifying modulators of CXC receptors 3 and 4 with tailored selectivity using multi-target docking.ACS Chem Biol2015
26535008The mode of agonist binding to a G protein-coupled receptor switches the effect that voltage changes have on signaling.Sci Signal2015
26282054SCUBIDOO: A Large yet Screenable and Easily Searchable Database of Computationally Created Chemical Compounds Optimized toward High Likelihood of Synthetic Tractability.J Chem Inf Model2015
26119231Fragment-based similarity searching with infinite color space.J Comput Chem2015
25533960Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant.Nature2015
24955762Functional annotation and structural characterization of a novel lactonase hydrolyzing D-xylono-1,4-lactone-5-phosphate and L-arabino-1,4-lactone-5-phosphate.Biochemistry2014
23569204Structural and functional characterization of a phosphatase domain within yeast general transcription factor IIIC.J Biol Chem2013
24065450[Computer-aided design of selective ligands binding to G protein-coupled receptors].Dtsch Med Wochenschr2013
24115223Structure of active coagulation factor XIII triggered by calcium binding: basis for the design of next-generation anticoagulants.Angew Chem Int Ed Engl2013
22313111Structure-based function discovery of an enzyme for the hydrolysis of phosphorylated sugar lactones.Biochemistry2012
23185482Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists.PLoS One2012
22052652The golden age of GPCR structural biology: any impact on drug design?Angew Chem Int Ed Engl2011
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Collaborators

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Co-authored papers 5
Albert Einstein College of Medicine
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Co-authored papers 3
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Co-authored papers 3
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Co-authored papers 2
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Co-authored papers 2
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Co-authored papers 1
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Co-authored papers 1
National Institutes of Health
Co-authored papers 1
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Co-authored papers 1
Center for Molecular Biology (ZMBH), Heidelberg University
Co-authored papers 1
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Co-authored papers 1
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Co-authored papers 1
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