☰

Peter Kolb - Publications

Affiliations: 
2011- Pharmaceutical Chemistry Philipps University Marburg, Marburg, Hessen, Germany 
Website:
www.kolblab.org
Tree Info Similar researchers PubMed Report error

62 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Köck Z, Schnelle K, Persechino M, Umbach S, Schihada H, Januliene D, Parey K, Pockes S, Kolb P, Dötsch V, Möller A, Hilger D, Bernhard F. Cryo-EM structure of cell-free synthesized human histamine 2 receptor/G complex in nanodisc environment. Nature Communications. 15: 1831. PMID 38418462 DOI: 10.1038/s41467-024-46096-z  0.316
2023 Bresinsky M, Shahraki A, Kolb P, Pockes S, Schihada H. Development of Fluorescent AF64394 Analogues Enables Real-Time Binding Studies for the Orphan Class A GPCR GPR3. Journal of Medicinal Chemistry. 66: 15025-15041. PMID 37907069 DOI: 10.1021/acs.jmedchem.3c01707  0.378
2023 Shahraki A, Selent J, Kolb P. On the construction of LIECE models for the serotonin receptor 5-HT[Formula: see text]R. Journal of Computer-Aided Molecular Design. 37: 313-323. PMID 37312012 DOI: 10.1007/s10822-023-00507-3  0.307
2023 Santos VC, Leite PG, Santos LH, Pascutti PG, Kolb P, Machado FS, Ferreira RS. Structure-based discovery of novel cruzain inhibitors with distinct trypanocidal activity profiles. European Journal of Medicinal Chemistry. 257: 115498. PMID 37290182 DOI: 10.1016/j.ejmech.2023.115498  0.563
2022 Heyder L, Hochban PMM, Taylor C, Chevillard F, Siefker C, Iking C, Borchardt H, Aigner A, Klebe G, Heine A, Kolb P, Diederich WE. Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. European Journal of Medicinal Chemistry. 245: 114914. PMID 36410167 DOI: 10.1016/j.ejmech.2022.114914  0.803
2022 Schihada H, Klompstra TM, Humphrys LJ, Cervenka I, Dadvar S, Kolb P, Ruas JL, Schulte G. Isoforms of GPR35 have distinct extracellular N-termini that allosterically modify receptor-transducer coupling and mediate intracellular pathway bias. The Journal of Biological Chemistry. 102328. PMID 35933013 DOI: 10.1016/j.jbc.2022.102328  0.305
2022 Persechino M, Hedderich JB, Kolb P, Hilger D. Allosteric modulation of GPCRs: From structural insights to in silico drug discovery. Pharmacology & Therapeutics. 237: 108242. PMID 35863587 DOI: 10.1016/j.pharmthera.2022.108242  0.39
2022 Hedderich JB, Persechino M, Becker K, Heydenreich FM, Gutermuth T, Bouvier M, Bünemann M, Kolb P. The pocketome of G-protein-coupled receptors reveals previously untargeted allosteric sites. Nature Communications. 13: 2567. PMID 35538063 DOI: 10.1038/s41467-022-29609-6  0.345
2022 Kolb P, Kenakin T, Alexander SPH, Bermudez M, Bohn LM, Breinholt CS, Bouvier M, Hill SJ, Kostenis E, Martemyanov K, Neubig RR, Onaran HO, Rajagopal S, Roth BL, Selent J, et al. Community Guidelines for GPCR Ligand Bias: IUPHAR Review XX. British Journal of Pharmacology. PMID 35106752 DOI: 10.1111/bph.15811  0.329
2021 Floeser A, Becker K, Kostenis E, König G, Krasel C, Kolb P, Buenemann M. Disentangling bias between G, GRK2, and arrestin3 recruitment to the M muscarinic acetylcholine receptor. Elife. 10. PMID 34851820 DOI: 10.7554/eLife.58442  0.303
2021 Chevillard F, Kelemen Á, Baker JG, Aranyodi VA, Balzer F, Kolb P, Keserű GM. Fragment evolution for GPCRs: the role of secondary binding sites in optimization. Chemical Communications (Cambridge, England). 57: 10516-10519. PMID 34550124 DOI: 10.1039/d1cc04636e  0.799
2021 Schmidt D, Scharf MM, Sydow D, Aßmann E, Martí-Solano M, Keul M, Volkamer A, Kolb P. Analyzing Kinase Similarity in Small Molecule and Protein Structural Space to Explore the Limits of Multi-Target Screening. Molecules (Basel, Switzerland). 26. PMID 33530327 DOI: 10.3390/molecules26030629  0.792
2020 Gunera J, Baker JG, van Hilten N, Rosenbaum DM, Kolb P. Structure-Based Discovery of Novel Ligands for the Orexin 2 Receptor. Journal of Medicinal Chemistry. PMID 32977721 DOI: 10.1021/acs.jmedchem.0c00964  0.816
2020 Rodríguez-Espigares I, Torrens-Fontanals M, Tiemann JKS, Aranda-García D, Ramírez-Anguita JM, Stepniewski TM, Worp N, Varela-Rial A, Morales-Pastor A, Medel-Lacruz B, Pándy-Szekeres G, Mayol E, Giorgino T, Carlsson J, Deupi X, ... ... Kolb P, et al. Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature Methods. PMID 32704182 DOI: 10.1038/S41592-020-0928-3  0.735
2020 Hellmann J, Drabek M, Yin J, Gunera J, Pröll T, Kraus F, Langmead CJ, Hübner H, Weikert D, Kolb P, Rosenbaum DM, Gmeiner P. Structure-based development of a subtype-selective orexin 1 receptor antagonist. Proceedings of the National Academy of Sciences of the United States of America. PMID 32669442 DOI: 10.1073/Pnas.2002704117  0.819
2020 Rodríguez-Espigares I, Torrens-Fontanals M, Tiemann JKS, Aranda-García D, Ramírez-Anguita JM, Stepniewski TM, Worp N, Varela-Rial A, Morales-Pastor A, Medel-Lacruz B, Pándy-Szekeres G, Mayol E, Giorgino T, Carlsson J, Deupi X, ... ... Kolb P, et al. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature Methods. PMID 32661425 DOI: 10.1038/S41592-020-0884-Y  0.78
2020 Scharf MM, Zimmermann M, Wilhelm F, Stroe R, Waldhoer M, Kolb P. A Focus on Unusual ECL2 Interactions Yields β -Adrenergic Receptor Antagonists with Unprecedented Scaffolds. Chemmedchem. PMID 32301583 DOI: 10.1002/cmdc.201900715  0.391
2020 Sommer ME, Selent J, Carlsson J, De Graaf C, Gloriam DE, Keseru GM, Kosloff M, Mordalski S, Rizk A, Rosenkilde MM, Sotelo E, Tiemann JKS, Tobin A, Vardjan N, Waldhoer M, ... Kolb P, et al. The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling. Acs Pharmacology & Translational Science. 3: 361-370. PMID 32296774 DOI: 10.1021/acsptsci.0c00024  0.64
2020 Kuder KJ, Michalik I, Kieć-Kononowicz K, Kolb P. A Taxicab geometry quantification system to evaluate the performance of in silico methods: a case study on adenosine receptors ligands. Journal of Computer-Aided Molecular Design. PMID 32112287 DOI: 10.1007/s10822-020-00301-5  0.368
2019 Scharf MM, Bunemann M, Baker JG, Kolb P. Comparative docking to distinct G protein-coupled receptor conformations exclusively yields ligands with agonist efficacy. Molecular Pharmacology. PMID 31624135 DOI: 10.1124/Mol.119.117515  0.385
2019 Chevillard F, Stotani S, Karawajczyk A, Hristeva S, Pardon E, Steyaert J, Tzalis D, Kolb P. Interrogating dense ligand chemical space with a forward-synthetic library. Proceedings of the National Academy of Sciences of the United States of America. PMID 31113876 DOI: 10.1073/Pnas.1818718116  0.815
2019 van Hilten N, Chevillard F, Kolb P. Virtual Compound Libraries in Computer-Assisted Drug Discovery. Journal of Chemical Information and Modeling. PMID 30624918 DOI: 10.1021/Acs.Jcim.8B00737  0.782
2018 Pardon E, Betti C, Laeremans T, Chevillard F, Guillemyn K, Kolb P, Ballet S, Steyaert J. Nanobody-enabled reverse pharmacology on GPCRs. Angewandte Chemie (International Ed. in English). PMID 29469969 DOI: 10.1002/Anie.201712581  0.801
2018 Chevillard F, Rimmer H, Betti C, Pardon E, Ballet S, van Hilten N, Steyaert J, Diederich WE, Kolb P. Binding-Site Compatible Fragment Growing Applied to the Design of β2-Adrenergic Receptor Ligands. Journal of Medicinal Chemistry. PMID 29364664 DOI: 10.1021/Acs.Jmedchem.7B01558  0.817
2017 Hoppe A, Marti-Solano M, Drabek M, Bünemann M, Kolb P, Rinne A. The allosteric site regulates the voltage sensitivity of muscarinic receptors. Cellular Signalling. PMID 29056499 DOI: 10.1016/J.Cellsig.2017.10.011  0.732
2017 Schmidt D, Gunera J, Baker JG, Kolb P. Similarity- and Substructure-Based Development of β2-Adrenergic Receptor Ligands Based on Unusual Scaffolds. Acs Medicinal Chemistry Letters. 8: 481-485. PMID 28523097 DOI: 10.1021/Acsmedchemlett.6B00363  0.796
2016 Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, ... ... Kolb P, et al. 11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015. Journal of Cheminformatics. 8: 18. PMID 29270804 DOI: 10.1186/S13321-016-0119-5  0.734
2016 Gunera J, Kindinger F, Li SM, Kolb P. PrenDB: A Substrate Prediction Database to Enable Biocatalytic Use of Prenyltransferases. The Journal of Biological Chemistry. PMID 28007960 DOI: 10.1074/Jbc.M116.759118  0.772
2016 Munk C, Isberg V, Mordalski S, Harpsøe K, Rataj K, Hauser AS, Kolb P, Bojarski AJ, Vriend G, Gloriam DE. GPCRdb: the G protein-coupled receptor database - an introduction. British Journal of Pharmacology. 173: 2195-207. PMID 27155948 DOI: 10.1111/Bph.13509  0.442
2016 Kaczor AA, Silva AG, Loza MI, Kolb P, Castro M, Poso A. Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics. Chemmedchem. PMID 26990027 DOI: 10.1002/cmdc.201500599  0.317
2016 Unzue A, Lafleur K, Zhao H, Zhou T, Dong J, Kolb P, Liebl J, Zahler S, Caflisch A, Nevado C. Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation. European Journal of Medicinal Chemistry. 112: 347-366. PMID 26907157 DOI: 10.1016/J.Ejmech.2016.01.057  0.513
2016 Martí-Solano M, Schmidt D, Kolb P, Selent J. Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry. Drug Discovery Today. 21: 625-31. PMID 26821135 DOI: 10.1016/J.Drudis.2016.01.009  0.777
2016 Wolf D, Rippa V, Mobarec JC, Sauer P, Adlung L, Kolb P, Bischofs IB. The quorum-sensing regulator ComA from Bacillus subtilis activates transcription using topologically distinct DNA motifs. Nucleic Acids Research. 44: 2160-72. PMID 26582911 DOI: 10.1093/Nar/Gkv1242  0.708
2015 Rinne A, Mobarec JC, Mahaut-Smith M, Kolb P, Bünemann M. The mode of agonist binding to a G protein-coupled receptor switches the effect that voltage changes have on signaling. Science Signaling. 8: ra110. PMID 26535008 DOI: 10.1126/Scisignal.Aac7419  0.744
2015 Gunera J, Kolb P. Fragment-based similarity searching with infinite color space. Journal of Computational Chemistry. 36: 1597-608. PMID 26119231 DOI: 10.1002/Jcc.23974  0.778
2015 Yin J, Mobarec JC, Kolb P, Rosenbaum DM. Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant. Nature. 519: 247-50. PMID 25533960 DOI: 10.1038/Nature14035  0.769
2015 Schmidt D, Bernat V, Brox R, Tschammer N, Kolb P. Identifying modulators of CXC receptors 3 and 4 with tailored selectivity using multi-target docking. Acs Chemical Biology. 10: 715-24. PMID 25398025 DOI: 10.1021/Cb500577J  0.819
2015 Bünemann M, Kolb P, Van Hook AM. Science signaling podcast for 3 November 2015: Ligands control GPCR voltage sensitivity Science Signaling. 8. DOI: 10.1126/Scisignal.Aad6787  0.409
2015 Winkelblech J, Liebhold M, Gunera J, Xie X, Kolb P, Li SM. Tryptophan C5-, C6- and C7-prenylating enzymes displaying a preference for C-6 of the indole ring in the presence of unnatural dimethylallyl diphosphate analogues Advanced Synthesis and Catalysis. 357: 975-986. DOI: 10.1002/Adsc.201400958  0.747
2014 Korczynska M, Xiang DF, Zhang Z, Xu C, Narindoshvili T, Kamat SS, Williams HJ, Chang SS, Kolb P, Hillerich B, Sauder JM, Burley SK, Almo SC, Swaminathan S, Shoichet BK, et al. Functional annotation and structural characterization of a novel lactonase hydrolyzing D-xylono-1,4-lactone-5-phosphate and L-arabino-1,4-lactone-5-phosphate. Biochemistry. 53: 4727-38. PMID 24955762 DOI: 10.1021/Bi500595C  0.485
2014 Schmidt D, Kolb P. Large-scale docking approaches to the kinome Journal of Cheminformatics. 6: 31. DOI: 10.1186/1758-2946-6-S1-P31  0.791
2014 Mobarec JC, Wolf D, Bischofs IB, Kolb P. Computational modeling, docking and molecular dynamics of the transcriptional activator ComA bound to a newly-identified functional DNA binding site Journal of Cheminformatics. 6. DOI: 10.1186/1758-2946-6-S1-P30  0.726
2014 Chevillard F, Kolb P. De novo design of selective compounds: a fragment-based pipeline applied to the β2 adrenergic receptor Journal of Cheminformatics. 6. DOI: 10.1186/1758-2946-6-S1-P25  0.814
2014 Gunera J, Kolb P. Exploring and cataloguing the substrate space of prenyltransferases: automatic generation of SMARTS Journal of Cheminformatics. 6. DOI: 10.1186/1758-2946-6-S1-P22  0.767
2014 Rinne A, Mobarec J, Kolb P, Bünemann M. Voltage Dependence of Muscarinic M1-,M3- and M5 Receptors Biophysical Journal. 106: 105a. DOI: 10.1016/J.Bpj.2013.11.648  0.383
2013 Schmidt D, Kolb P. Computergestützte Entwicklung selektiver Liganden G-Protein-gekoppelter Rezeptoren Deutsche Medizinische Wochenschrift. 138: 2260-2264. PMID 24065450 DOI: 10.1055/S-0033-1349483  0.748
2013 Taylor NM, Glatt S, Hennrich ML, von Scheven G, Grötsch H, Fernández-Tornero C, Rybin V, Gavin AC, Kolb P, Müller CW. Structural and functional characterization of a phosphatase domain within yeast general transcription factor IIIC. The Journal of Biological Chemistry. 288: 15110-20. PMID 23569204 DOI: 10.1074/Jbc.M112.427856  0.314
2012 Kolb P, Phan K, Gao ZG, Marko AC, Sali A, Jacobson KA. Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists. Plos One. 7: e49910. PMID 23185482 DOI: 10.1371/Journal.Pone.0049910  0.363
2012 Xiang DF, Kolb P, Fedorov AA, Xu C, Fedorov EV, Narindoshivili T, Williams HJ, Shoichet BK, Almo SC, Raushel FM. Structure-based function discovery of an enzyme for the hydrolysis of phosphorylated sugar lactones. Biochemistry. 51: 1762-73. PMID 22313111 DOI: 10.1021/Bi201838B  0.477
2011 Kolb P, Klebe G. The golden age of GPCR structural biology: any impact on drug design? Angewandte Chemie (International Ed. in English). 50: 11573-5. PMID 22052652 DOI: 10.1002/Anie.201105869  0.302
2010 Hall RS, Fedorov AA, Marti-Arbona R, Fedorov EV, Kolb P, Sauder JM, Burley SK, Shoichet BK, Almo SC, Raushel FM. The hunt for 8-oxoguanine deaminase. Journal of the American Chemical Society. 132: 1762-3. PMID 20088583 DOI: 10.1021/Ja909817D  0.455
2010 Cummings JA, Nguyen TT, Fedorov AA, Kolb P, Xu C, Fedorov EV, Shoichet BK, Barondeau DP, Almo SC, Raushel FM. Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase . Biochemistry. 49: 611-22. PMID 20000809 DOI: 10.1021/Bi901935Y  0.469
2009 Kolb P, Ferreira RS, Irwin JJ, Shoichet BK. Docking and chemoinformatic screens for new ligands and targets. Current Opinion in Biotechnology. 20: 429-36. PMID 19733475 DOI: 10.1016/J.Copbio.2009.08.003  0.706
2009 Kolb P, Rosenbaum DM, Irwin JJ, Fung JJ, Kobilka BK, Shoichet BK. Structure-based discovery of beta2-adrenergic receptor ligands. Proceedings of the National Academy of Sciences of the United States of America. 106: 6843-8. PMID 19342484 DOI: 10.1073/Pnas.0812657106  0.613
2009 Xiang DF, Kolb P, Fedorov AA, Meier MM, Fedorov LV, Nguyen TT, Sterner R, Almo SC, Shoichet BK, Raushel FM. Functional annotation and three-dimensional structure of Dr0930 from Deinococcus radiodurans, a close relative of phosphotriesterase in the amidohydrolase superfamily. Biochemistry. 48: 2237-47. PMID 19159332 DOI: 10.1021/Bi802274F  0.46
2008 Schenker P, Alfarano P, Kolb P, Caflisch A, Baici A. A double-headed cathepsin B inhibitor devoid of warhead. Protein Science : a Publication of the Protein Society. 17: 2145-55. PMID 18796695 DOI: 10.1110/Ps.037341.108  0.568
2008 Kolb P, Kipouros CB, Huang D, Caflisch A. Structure-based tailoring of compound libraries for high-throughput screening: discovery of novel EphB4 kinase inhibitors. Proteins. 73: 11-8. PMID 18384152 DOI: 10.1002/Prot.22028  0.631
2008 Kolb P, Huang D, Dey F, Caflisch A. Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model. Journal of Medicinal Chemistry. 51: 1179-88. PMID 18271520 DOI: 10.1021/Jm070654J  0.535
2006 Kolb P, Caflisch A. Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking. Journal of Medicinal Chemistry. 49: 7384-92. PMID 17149868 DOI: 10.1021/Jm060838I  0.629
2006 Huang D, Lüthi U, Kolb P, Cecchini M, Barberis A, Caflisch A. In silico discovery of beta-secretase inhibitors. Journal of the American Chemical Society. 128: 5436-43. PMID 16620115 DOI: 10.1021/Ja0573108  0.693
2005 Huang D, Lüthi U, Kolb P, Edler K, Cecchini M, Audetat S, Barberis A, Caflisch A. Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations. Journal of Medicinal Chemistry. 48: 5108-11. PMID 16078830 DOI: 10.1021/Jm050499D  0.663
2004 Cecchini M, Kolb P, Majeux N, Caflisch A. Automated docking of highly flexible ligands by genetic algorithms: a critical assessment. Journal of Computational Chemistry. 25: 412-22. PMID 14696075 DOI: 10.1002/Jcc.10384  0.695
Show low-probability matches.