Publications
2024
Ertelt M, Meiler J, Schoeder CT. Combining Rosetta Sequence Design with Protein Language Model Predictions Using Evolutionary Scale Modeling (ESM) as Restraint. ACS Synth Biol. 2024 Apr 3. doi: 10.1021/acssynbio.3c00753 
. Epub ahead of print. PMID: 38568188 .
Woods H, Schiano DL, Aguirre JI, Ledwitch KV, McDonald EF, Voehler M, Meiler J, Schoeder CT. Computational modeling and prediction of deletion mutants. Structure. 2023 Jun 1;31(6):713-723.e3. doi: 10.1016/j.str.2023.04.005. Epub 2023 Apr 28. PMID: 37119820; PMCID: PMC10247520.
Moeller J, Bozhanova NG, Voehler M, Meiler J, Schoeder CT. Backbone chemical shift and secondary structure assignments for mouse siderocalin. Biomol NMR Assign. 2024 Apr 2. doi: 10.1007/s12104-024-10171-9 . Epub ahead of print. PMID: 38564159 .
Manoharan J, Rana R, Kuenze G, Gupta D, Elwakiel A, Ambreen S, Wang H, Banerjee K, Zimmermann S, Singh K, Gupta A, Fatima S, Kretschmer S, Schaefer L, Zeng-Brouwers J, Schwab C, Al-Dabet MM, Gadi I, Altmann H, Koch T, Poitz DM, Baber R, Kohli S, Shahzad K, Geffers R, Lee-Kirsch MA, Kalinke U, Meiler J, Mackman N, Isermann B. Tissue factor binds to and inhibits interferon-α receptor 1 signaling. Immunity. 2024 Jan 9;57(1):68-85.e11. doi: 10.1016/j.immuni.2023.11.017 . Epub 2023 Dec 22. PMID: 38141610 .
Ertelt M, Mulligan VK, Maguire JB, Lyskov S, Moretti R, Schiffner T, Meiler J, Schoeder CT. Combining machine learning with structure-based protein design to predict and engineer post-translational modifications of proteins. PLoS Comput Biol. 2024 Mar 14;20(3):e1011939. doi: 10.1371/journal.pcbi.1011939 . PMID: 38484014 ; PMCID: PMC10965067.
Philipp M, Moth CW, Ristic N, Tiemann JKS, Seufert F, Panfilova A, Meiler J, Hildebrand PW, Stein A, Wiegreffe D, Staritzbichler R. MUTATIONEXPLORER- A WEBSERVER FOR MUTATION OF PROTEINS AND 3D VISUALIZATION OF ENERGETIC IMPACTS. bioRxiv [Preprint]. 2024 Feb 28:2023.03.23.533926. doi: 10.1101/2023.03.23.533926 . PMID: 38464310 ; PMCID: PMC10925206.
Kraft FB, Enns J, Honin I, Engelhardt J, Schöler A, Smith ST, Meiler J, Schäker-Hübner L, Weindl G, Hansen FK. Groebke Blackburn Bienaymé-mediated multi-component synthesis of selective HDAC6 inhibitors with anti-inflammatory properties. Bioorg Chem. 2024 Feb;143:107072. doi: 10.1016/j.bioorg.2023.107072 . Epub 2024 Jan 2. PMID: 38185013 .
2023
Junker H, Meiler J, Schoeder CT. Interplay of thermodynamics and evolution within the ternary ligand-GPCR-G protein complex. Curr Opin Struct Biol. 2023 Jul 17;82:102656. doi: 10.1016/j.sbi.2023.102656 . Epub ahead of print. PMID: 37467526 .
Schüß C, Vu O, Mishra NM, Tough IR, Du Y, Stichel J, Cox HM, Weaver CD, Meiler J, Emmitte KA, Beck-Sickinger AG. Structure-Activity Relationship Study of the High-Affinity Neuropeptide Y4 Receptor Positive Allosteric Modulator VU0506013. J Med Chem. 2023 Jul 13;66(13):8745-8766. doi: 10.1021/acs.jmedchem.3c00383 . Epub 2023 Jun 20. PMID: 37339079 .
Liessmann F, Künze G, Meiler J. Improving the Modeling of Extracellular Ligand Binding Pockets in RosettaGPCR for Conformational Selection. Int J Mol Sci. 2023 Apr 24;24(9):7788. doi: 10.3390/ijms24097788 . PMID: 37175495 ; PMCID: PMC10178219.
Woods H, Schiano DL, Aguirre JI, Ledwitch KV, McDonald EF, Voehler M, Meiler J, Schoeder CT. Computational modeling and prediction of deletion mutants. Structure. 2023 Jun 1;31(6):713-723.e3. doi: 10.1016/j.str.2023.04.005 . Epub 2023 Apr 28. PMID: 37119820 ; PMCID: PMC10247520.
Ledwitch KV, Künze G, McKinney JR, Okwei E, Larochelle K, Pankewitz L, Ganguly S, Darling HL, Coin I, Meiler J. Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction. J Biomol NMR. 2023 Jun;77(3):69-82. doi: 10.1007/s10858-023-00412-9 . Epub 2023 Apr 4. PMID: 37016190 .
Marlow B, Kuenze G, Meiler J, Koehler Leman J. Docking cholesterol to integral membrane proteins with Rosetta. PLoS Comput Biol. 2023 Mar 27;19(3):e1010947. doi: 10.1371/journal.pcbi.1010947 . PMID: 36972273 ; PMCID: PMC10042369.
Sala D, Hildebrand PW, Meiler J. Biasing AlphaFold2 to predict GPCRs and kinases with user-defined functional or structural properties. Front Mol Biosci. 2023 Feb 16;10:1121962. doi: 10.3389/fmolb.2023.1121962 . PMID: 36876042 ; PMCID: PMC9978208.
2022
Sala D, Del Alamo D, Mchaourab HS, Meiler J. Modeling of protein conformational changes with Rosetta guided by limited experimental data. Structure. 2022 Aug 4;30(8):1157-1168.e3. doi: 10.1016/j.str.2022.04.013 . Epub 2022 May 20. PMID: 35597243
Blee AM, Li B, Pecen T, Meiler J, Nagel ZD, Capra JA, Chazin WJ. An Active Learning Framework Improves Tumor Variant Interpretation. Cancer Res. 2022 Aug 3;82(15):2704-2715. doi: 10.1158/0008-5472.CAN-21-3798 . PMID: 35687855
Smith ST, Shub L, Meiler J. PlaceWaters: Real-time, explicit interface water sampling during Rosetta ligand docking. PLoS One. 2022 May 31;17(5):e0269072. doi: 10.1371/journal.pone.0269072 . eCollection 2022. PMID: 35639743
Schoeder CT, Gilchuk P, Sangha AK, Ledwitch KV, Malherbe DC, Zhang X, Binshtein E, Williamson LE, Martina CE, Dong J, Armstrong E, Sutton R, Nargi R, Rodriguez J, Kuzmina N, Fiala B, King NP, Bukreyev A, Crowe JE Jr, Meiler J. Epitope-focused immunogen design based on the ebolavirus glycoprotein HR2-MPER region. PLoS Pathog. 2022 May 18;18(5):e1010518. doi: 10.1371/journal.ppat.1010518 . eCollection 2022 May. PMID: 35584193
Qiuyan Chen, Ya Zhuo, Pankaj Sharma, Ivette Perez, Derek J. Francis, Srinivas Chakravarthy, Sergey A. Vishnivetskiy, Sandra Berndt, Susan M. Hanson, Xuanzhi Zhan, Evan K. Brooks, Christian Altenbach, Wayne L. Hubbell, Candice S. Klug, T. M. Iverson, Vsevolod V. Gurevich. An eight amino acid segment controls oligomerization and preferred conformation of the two non-visual arrestins. J Mol Biol. Author manuscript; available in PMC 2022 Feb 19. Published in final edited form as: J Mol Biol. 2021 Feb 19; 433(4): 166790. Published online 2020 Dec 31. doi: 10.1016/j.jmb.2020.166790 PMCID: PMC7870585
Nebe M, Kehr S, Schmitz S, Breitfeld J, Lorenz J, Le Duc D, Stadler PF, Meiler J, Kiess W, Garten A, Kirstein AS. Small integral membrane protein 10 like 1 downregulation enhances differentiation of adipose progenitor cells. Biochem Biophys Res Commun. 2022 May 14;604:57-62. doi: 10.1016/j.bbrc.2022.03.014 . Epub 2022 Mar 4. PMID: 35290761
Porta JC, Han B, Gulsevin A, Chung JM, Peskova Y, Connolly S, Mchaourab HS, Meiler J, Karakas E, Kenworthy AK, Ohi MD. Molecular architecture of the human caveolin-1 complex. Sci Adv. 2022 May 13;8(19):eabn7232. doi: 10.1126/sciadv.abn7232 . Epub 2022 May 11. PMID: 35544577
Schäker-Hübner L, Haschemi R, Büch T, Kraft FB, Brumme B, Schöler A, Jenke R, Meiler J, Aigner A, Bendas G, Hansen FK. Balancing Histone Deacetylase (HDAC) Inhibition and Drug-likeness: Biological and Physicochemical Evaluation of Class I Selective HDAC Inhibitors. ChemMedChem. 2022 May 4;17(9):e202100755. doi: 10.1002/cmdc.202100755 . Epub 2022 Feb 18. PMID: 35073610
Phul S, Kuenze G, Vanoye CG, Sanders CR, George AL Jr, Meiler J. Predicting the functional impact of KCNQ1 variants with artificial neural networks. PLoS Comput Biol. 2022 Apr 20;18(4):e1010038. doi: 10.1371/journal.pcbi.1010038 . eCollection 2022 Apr. PMID: 35442947
Zimmermann A, Vu O, Brüser A, Sliwoski G, Marnett LJ, Meiler J, Schöneberg T. Mapping the Binding Sites of UDP and Prostaglandin E2 Glyceryl Ester in the Nucleotide Receptor P2Y6. ChemMedChem. 2022 Apr 5;17(7):e202100683. doi: 10.1002/cmdc.202100683 . Epub 2022 Jan 28. PMID: 35034430
Del Alamo D, Sala D, Mchaourab HS, Meiler J. Sampling alternative conformational states of transporters and receptors with AlphaFold2. Elife. 2022 Mar 3;11:e75751. doi: 10.7554/eLife.75751 . PMID: 35238773
Rudolf S, Kaempf K, Vu O, Meiler J, Beck-Sickinger AG, Coin I. Binding of Natural Peptide Ligands to the Neuropeptide Y5 Receptor. Angew Chem Int Ed Engl. 2022 Jan 26;61(5):e202108738. doi: 10.1002/anie.202108738 . Epub 2021 Dec 16. PMID: 34822209
2021
Vu O, Bender BJ, Pankewitz L, Huster D, Beck-Sickinger AG, Meiler J. The Structural Basis of Peptide Binding at Class A G Protein-Coupled Receptors. Molecules. 2021 Dec 30;27(1):210. doi: 10.3390/molecules27010210 . PMID: 35011444
Bertron JL, Duvernay MT, Mitchell SG, Smith ST, Maeng JG, Blobaum AL, Davis DC, Meiler J, Hamm HE, Lindsley CW. Discovery and Optimization of a Novel Series of Competitive and Central Nervous System-Penetrant Protease-Activated Receptor 4 (PAR4) Inhibitors. ACS Chem Neurosci. 2021 Dec 15;12(24):4524-4534. doi: 10.1021/acschemneuro.1c00557 . Epub 2021 Dec 2. PMID: 34855359
Mukherjee S, Cogan JD, Newman JH, Phillips JA 3rd, Hamid R; Undiagnosed Diseases Network, Meiler J, Capra JA. Identifying digenic disease genes via machine learning in the Undiagnosed Diseases Network. Am J Hum Genet. 2021 Oct 7;108(10):1946-1963. doi: 10.1016/j.ajhg.2021.08.010 . Epub 2021 Sep 15. PMID: 34529933
Fischer TF, Czerniak AS, Weiß T, Schoeder CT, Wolf P, Seitz O, Meiler J, Beck-Sickinger AG. Ligand-binding and -scavenging of the chemerin receptor GPR1. Cell Mol Life Sci. 2021 Sep;78(17-18):6265-6281. doi: 10.1007/s00018-021-03894-8 . Epub 2021 Jul 9. PMID: 34241650
Marlow B, Kuenze G, Li B, Sanders CR, Meiler J. Structural determinants of cholesterol recognition in helical integral membrane proteins. Biophys J. 2021 May 4;120(9):1592-1604. doi: 10.1016/j.bpj.2021.02.028 . Epub 2021 Feb 26. PMID: 33640379
Fischer TF, Schoeder CT, Zellmann T, Stichel J, Meiler J, Beck-Sickinger AG. Cyclic Analogues of the Chemerin C-Terminus Mimic a Loop Conformation Essential for Activating the Chemokine-like Receptor 1. J Med Chem. 2021 Mar 25;64(6):3048-3058. doi: 10.1021/acs.jmedchem.0c01804 . Epub 2021 Mar 11. PMID: 33705662
Schoeder CT, Schmitz S, Adolf-Bryfogle J, Sevy AM, Finn JA, Sauer MF, Bozhanova NG, Mueller BK, Sangha AK, Bonet J, Sheehan JH, Kuenze G, Marlow B, Smith ST, Woods H, Bender BJ, Martina CE, Del Alamo D, Kodali P, Gulsevin A, Schief WR, Correia BE, Crowe JE Jr, Meiler J, Moretti R. Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design. Biochemistry. 2021 Mar 23;60(11):825-846. doi: 10.1021/acs.biochem.0c00912 . Epub 2021 Mar 11. PMID: 33705117
Schüß C, Vu O, Schubert M, Du Y, Mishra NM, Tough IR, Stichel J, Weaver CD, Emmitte KA, Cox HM, Meiler J, Beck-Sickinger AG. Highly Selective Y4 Receptor Antagonist Binds in an Allosteric Binding Pocket. J Med Chem. 2021 Mar 11;64(5):2801-2814. doi: 10.1021/acs.jmedchem.0c02000 . Epub 2021 Feb 17. PMID: 33595306
Voigtmann F, Wolf P, Landgraf K, Stein R, Kratzsch J, Schmitz S, Abou Jamra R, Blüher M, Meiler J, Beck-Sickinger AG, Kiess W, Körner A. Identification of a novel leptin receptor (LEPR) variant and proof of functional relevance directing treatment decisions in patients with morbid obesity. Metabolism. 2021 Mar;116:154438. doi: 10.1016/j.metabol.2020.154438 . Epub 2020 Nov 19. PMID: 33221380
Del Alamo D, Jagessar KL, Meiler J, Mchaourab HS. Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER Distance Restraints. PLoS Comput Biol. 2021 Jun 16;17(6):e1009107. doi:10.1371/journal.pcbi.1009107 . Online ahead of print. PMID: 34133419
Gershkovich MM, Groß VE, Vu O, Schoeder CT, Meiler J, Prömel S, Kaiser A. Structural Perspective on Ancient Neuropeptide Y-like System reveals Hallmark Features for Peptide Recognition and Receptor Activation. J Mol Biol. 2021 Apr 16;433(13):166992. doi: 10.1016/j.jmb.2021.166992 . Epub ahead of print. PMID: 33865871 .
Schoeder CT, Schmitz S, Adolf-Bryfogle J, Sevy AM, Finn JA, Sauer MF, Bozhanova NG, Mueller BK, Sangha AK, Bonet J, Sheehan JH, Kuenze G, Marlow B, Smith ST, Woods H, Bender BJ, Martina CE, Del Alamo D, Kodali P, Gulsevin A, Schief WR, Correia BE, Crowe JE Jr, Meiler J, Moretti R. Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design. Biochemistry. 2021 Mar 23;60(11):825-846. doi: 10.1021/acs.biochem.0c00912. Epub 2021 Mar 11. PMID: 33705117; PMCID: PMC7992133.
Huang H, Chamness LM, Vanoye CG, Kuenze G, Meiler J, George AL Jr, Schlebach JP, Sanders CR. Disease-linked super-trafficking of a potassium channel. J Biol Chem. 2021 Feb 15;296:100423. doi: 10.1016/j.jbc.2021.100423 . Epub ahead of print. PMID: 33600800 ; PMCID: PMC7988323.
Schmitz S, Ertelt M, Merkl R, Meiler J. Rosetta design with co-evolutionary information retains protein function. PLoS Comput Biol. 2021 Jan 19;17(1):e1008568. doi: 10.1371/journal.pcbi.1008568 . PMID: 33465067 ; PMCID: PMC7815116.
Kuenze G, Vanoye CG, Desai RR, Adusumilli S, Brewer KR, Woods H, McDonald EF, Sanders CR, George AL Jr, Meiler J. Allosteric mechanism for KCNE1 modulation of KCNQ1 potassium channel activation. Elife. 2020 Oct 23;9:e57680. doi: 10.7554/eLife.57680 . PMID: 33095155 ; PMCID: PMC7584456.
Sinatra L, Bandolik JJ, Roatsch M, Sönnichsen M, Schoeder CT, Hamacher A, Schöler A, Borkhardt A, Meiler J, Bhatia S, Kassack MU, Hansen FK. Hydroxamic Acids Immobilized on Resins (HAIRs): Synthesis of Dual-Targeting HDAC Inhibitors and HDAC Degraders (PROTACs). Angew Chem Int Ed Engl. 2020 Dec 7;59(50):22494-22499. doi: 10.1002/anie.202006725 . Epub 2020 Oct 9. PMID: 32780485 ; PMCID: PMC7756583.
2020
James M. Hutchison, Kuo-Chih Shih, Holger Scheidt, Sarah M. Fantin, Kristine F. Parson, George A. Pantelopulos, Haley R. Harrington, Kathleen F. Mittendorf, Shuo Qian, Richard A. Stein, Scott E. Collier, Melissa G. Chambers, Linjun Huang, Ritesh Mittal, John Katsaras, Markus W. Voehler, Brandon T. Ruotolo, Daniel Huster, Robert L. McFeeters, John E. Straub, Mu-Ping Nieh, Charles R. Sanders. Preparation and characterization of bicelles rich in both sphingolipids and cholesterol to study type I and II membrane proteins. J. Am. Chem. Soc. 142 (2020)
Piotrowski C, Moretti R, Ihling CH, Haedicke A, Liepold T, Lipstein N, Meiler J, Jahn O, Sinz A. Delineating the Molecular Basis of the Calmodulin‒bMunc13-2 Interaction by Cross-Linking/Mass Spectrometry-Evidence for a Novel CaM Binding Motif in bMunc13-2. Cells. 2020 Jan 7;9(1):136. doi: 10.3390/cells9010136 . PMID: 31936129 ; PMCID: PMC7017353.
Kathryn R. Brewer, Georg Kuenze, Carlos G. Vanoye, Alfred L. George, Jr., Jens Meiler, Charles R. Sanders. Structures Illuminate Cardiac Ion Channel Functions in Health and in Long QT Syndrome. Front Pharmacol. 2020; 11: 550. Published online 2020 May 4. doi: 10.3389/fphar.2020.00550 PMCID: PMC7212895
Vogel A, Bosse M, Gauglitz M, Wistuba S, Schmidt P, Kaiser A, Gurevich VV, Beck-Sickinger AG, Hildebrand PW, Huster D. The Dynamics of the Neuropeptide Y Receptor Type 1 Investigated by Solid-State NMR and Molecular Dynamics Simulation. Molecules. 2020 Nov 24;25(23):5489. doi: 10.3390/molecules25235489 . PMID: 33255213 ; PMCID: PMC7727705.
Krug U, Gloge A, Schmidt P, Becker-Baldus J, Bernhard F, Kaiser A, Montag C, Gauglitz M, Vishnivetskiy SA, Gurevich VV, Beck-Sickinger AG, Glaubitz C, Huster D. The Conformational Equilibrium of the Neuropeptide Y2 Receptor in Bilayer Membranes. Angew Chem Int Ed Engl. 2020 Aug 13. doi: 10.1002/anie.202006075 . Epub ahead of print. PMID: 32790043
Kuenze G, Vanoye CG, Desai RR, Adusumilli S, Brewer KR, Woods H, McDonald EF, Sanders CR, George AL Jr, Meiler J. Allosteric mechanism for KCNE1 modulation of KCNQ1 potassium channel activation. Elife. 2020 Oct 23;9:e57680. doi: 10.7554/eLife.57680. PMID: 33095155; PMCID: PMC7584456.
Böttke T, Ernicke S, Serfling R, Ihling C, Burda E, Gurevich VV, Sinz A, Coin I. Exploring GPCR-arrestin interfaces with genetically encoded crosslinkers. EMBO Rep. 2020 Nov 5;21(11):e50437. doi: 10.15252/embr.202050437 . Epub 2020 Sep 14. PMID: 32929862 ; PMCID: PMC7645262.
2019
Bender BJ, Vortmeier G, Ernicke S, Bosse M, Kaiser A, Els-Heindl S, Krug U, Beck-Sickinger A, Meiler J, Huster D. Structural Model of Ghrelin Bound to its G Protein-Coupled Receptor. Structure. 2019 Mar 5;27(3):537-544.e4. doi: 10.1016/j.str.2018.12.004 . Epub 2019 Jan 24.
Gräb J, Berg A, Blechschmidt L, Klüver B, Rubner S, Fu DY, Meiler J, Gräber M, Berg T. The STAT5b Linker Domain Mediates the Selectivity of Catechol Bisphosphates for STAT5b over STAT5a. ACS Chem Biol. 2019 Apr 19;14(4):796-805. doi: 10.1021/acschembio.9b00137 . Epub 2019 Mar 18.
Kratochvil I, Hofmann T, Rother S, Schlichting R, Moretti R, Scharnweber D, Hintze V, Escher BI, Meiler J, Kalkhof S, von Bergen M. Mono(2-ethylhexyl) phthalate (MEHP) and mono(2-ethyl-5-oxohexyl) phthalate (MEOHP) but not di(2-ethylhexyl) phthalate (DEHP) bind productively to the peroxisome proliferator-activated receptor γ. Rapid Commun Mass Spectrom. 2019 May;33 Suppl 1:75-85. doi: 10.1002/rcm.8258 . Epub 2019 Jan 1.
Berndt S, Gurevich VV, Iverson TM. Crystal structure of the SH3 domain of human Lyn non-receptor tyrosine kinase. PLoS One. 2019 Apr 10;14(4):e0215140. doi: 10.1371/journal.pone.0215140 . eCollection 2019.
2018
Frits Kamp, Holger A. Scheidt, Edith Winkler, Gabriele Basset, Hannes Heinel, James M. Hutchison, Loren M. LaPointe, Charles R. Sanders, Harald Steiner, Daniel Huster. Binding of bexarotene to the amyloid precursor protein transmembrane domain in liposomes alters its α-helical conformation but inhibits g-secretase non-selectively. ACS Chem. Neurosci. 9 (2018) 1702-1713.
Yang Z, Han S, Keller M, Kaiser A, Bender BJ, Bosse M, Burkert K, Kögler LM, Wifling D, Bernhardt G, Plank N, Littmann T, Schmidt P, Yi C, Li B, Ye S, Zhang R, Xu B, Larhammar D, Stevens RC, Huster D, Meiler J, Zhao Q, Beck-Sickinger AG, Buschauer A, Wu B. Structural basis of ligand binding modes at the neuropeptide Y Y1 receptor. Nature. 2018 Apr;556(7702):520-524. doi: 10.1038/s41586-018-0046-x . Epub 2018 Apr 18.
Schmidt P, Bender BJ, Kaiser A, Gulati K, Scheidt HA, Hamm HE, Meiler J, Beck-Sickinger AG, Huster D. Improved in Vitro Folding of the Y2 G Protein-Coupled Receptor into Bicelles. Front Mol Biosci. 2018 Jan 17;4:100. doi: 10.3389/fmolb.2017.00100 . eCollection 2017.
2017
Schubert M, Stichel J, Du Y, Tough IR, Sliwoski G, Meiler J, Cox HM, Weaver CD, Beck-Sickinger AG. Identification and Characterization of the First Selective Y4 Receptor Positive Allosteric Modulator. J Med Chem. 2017 Sep 14;60(17):7605-7612. doi: 10.1021/acs.jmedchem.7b00976 . Epub 2017 Aug 28.
Brüser A, Zimmermann A, Crews BC, Sliwoski G, Meiler J, König GM, Kostenis E, Lede V, Marnett LJ, Schöneberg T. Prostaglandin E2 glyceryl ester is an endogenous agonist of the nucleotide receptor P2Y6. Sci Rep. 2017 May 24;7(1):2380. doi: 10.1038/s41598-017-02414-8 .
Burkert K, Zellmann T, Meier R, Kaiser A, Stichel J, Meiler J, Mittapalli GK, Roberts E, Beck-Sickinger AG. A Deep Hydrophobic Binding Cavity is the Main Interaction for Different Y2 R Antagonists. ChemMedChem. 2017 Jan 5;12(1):75-85. doi: 10.1002/cmdc.201600433 . Epub 2016 Nov 30.
Wanka L, Babilon S, Burkert K, Mörl K, Gurevich VV, Beck-Sickinger AG. C-terminal motif of human neuropeptide Y4 receptor determines internalization and arrestin recruitment. Cell Signal. 2017 Jan;29:233-239. doi: 10.1016/j.cellsig.2016.11.003 . Epub 2016 Nov 3.
2016
Kaya AI, Lokits AD, Gilbert JA, Iverson TM, Meiler J, Hamm HE. A Conserved Hydrophobic Core in Gαi1 Regulates G Protein Activation and Release from Activated Receptor. J Biol Chem. 2016 Sep 9;291(37):19674-86. doi: 10.1074/jbc.M116.745513 . Epub 2016 Jul 26.
Sliwoski G, Schubert M, Stichel J, Weaver D, Beck-Sickinger AG, Meiler J. Discovery of Small-Molecule Modulators of the Human Y4 Receptor. PLoS One. 2016 Jun 13;11(6):e0157146. doi: 10.1371/journal.pone.0157146 . eCollection 2016.
Neumann W, Xu S, Sárosi MB, Scholz MS, Crews BC, Ghebreselasie K, Banerjee S, Marnett LJ, Hey-Hawkins E. nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2. ChemMedChem. 2016 Jan 19;11(2):175-8. doi: 10.1002/cmdc.201500199 . Epub 2015 Jun 18.
Zhan X, Stoy H, Kaoud TS, Perry NA, Chen Q, Perez A, Els-Heindl S, Slagis JV, Iverson TM, Beck-Sickinger AG, Gurevich EV, Dalby KN, Gurevich VV. Peptide mini-scaffold facilitates JNK3 activation in cells. Sci Rep. 2016 Feb 12;6:21025. doi: 10.1038/srep21025 .
Hu J, Stern M, Gimenez LE, Wanka L, Zhu L, Rossi M, Meister J, Inoue A, Beck-Sickinger AG, Gurevich VV, Wess J. A G Protein-biased Designer G Protein-coupled Receptor Useful for Studying the Physiological Relevance of Gq/11-dependent Signaling Pathways. J Biol Chem. 2016 Apr 8;291(15):7809-20. doi: 10.1074/jbc.M115.702282 . Epub 2016 Feb 5.
Schaarschmidt J, Nagel MB, Huth S, Jaeschke H, Moretti R, Hintze V, von Bergen M, Kalkhof S, Meiler J, Paschke R. Rearrangement of the Extracellular Domain/Extracellular Loop 1 Interface Is Critical for Thyrotropin Receptor Activation. J Biol Chem. 2016 Jul 1;291(27):14095-108. doi: 10.1074/jbc.M115.709659 . Epub 2016 Apr 26.
Krug U, Alexander NS, Stein RA, Keim A, Mchaourab HS, Sträter N, Meiler J. Characterization of the Domain Orientations of E. coli 5′-Nucleotidase by Fitting an Ensemble of Conformers to DEER Distance Distributions. Structure. 2016 Jan 5;24(1):43-56. doi: 10.1016/j.str.2015.11.007 . Epub 2015 Dec 24.
2015
Kaiser A, Müller P, Zellmann T, Scheidt HA, Thomas L, Bosse M, Meier R, Meiler J, Huster D, Beck-Sickinger AG, Schmidt P. Unwinding of the C-Terminal Residues of Neuropeptide Y is critical for Y₂ Receptor Binding and Activation. Angew Chem Int Ed Engl. 2015 Jun 15;54(25):7446-9. doi: 10.1002/anie.201411688 . Epub 2015 Apr 29.
Neumann W, Xu S, Sárosi MB, Scholz MS, Crews BC, Ghebreselasie K, Banerjee S, Marnett LJ, Hey-Hawkins E. nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2. ChemMedChem 2015, DOI: 10.1002/cmdc.201500199 .
Vortmeier G, DeLuca SH, Els-Heindl S, Chollet C, Scheidt HA, Beck-Sickinger AG, Meiler J, Huster D. Integrating solid-state NMR and computational modeling to investigate the structure and dynamics of membrane-associated ghrelin. PLoS One. 2015 Mar 24;10(3):e0122444. doi: 10.1371/journal.pone.0122444 . eCollection 2015.
Rojas JM, Bruinstroop E, Printz RL, Alijagic-Boers A, Foppen E, Turney MK, George L, Beck-Sickinger AG, Kalsbeek A, Niswender KD. Central nervous system neuropeptide Y regulates mediators of hepatic phospholipid remodeling and very low-density lipoprotein triglyceride secretion via sympathetic innervation. Mol Metab. 2015 Jan 16;4(3):210-21. doi: 10.1016/j.molmet.2015.01.004 . eCollection 2015 Mar.
Neumann W, Crews BC, Sárosi MB, Daniel CM, Ghebreselasie K, Scholz MS, Marnett LJ, Hey-Hawkins E. Conjugation of cisplatin analogues and cyclooxygenase inhibitors to overcome cisplatin resistance. ChemMedChem. 2015 Jan;10(1):183-92. doi: 10.1002/cmdc.201402353 . Epub 2014 Oct 15.
Hofmann T, Fischer AW, Meiler J, Kalkhof S. Protein structure prediction guided by crosslinking restraints–A systematic evaluation of the impact of the crosslinking spacer length. Methods. 2015 Nov 1;89:79-90. doi: 10.1016/j.ymeth.2015.05.014 . Epub 2015 May 15.
2014
Mäde V, Babilon S, Jolly N, Wanka L, Bellmann-Sickert K, Diaz Gimenez L, Mörl K, Cox HM, Gurevich VV, Beck-Sickinger AG. Peptide Modifications Differentially Alter GPCR Internalization and Signaling Bias. Angew Chem Int Ed. 2014; doi: 10.1002/anie.201403750 .
Margetić A, Nanneman D, Meiler J, Huster D, Theisgen S. Guanylate cyclase-activating protein-2 undergoes structural changes upon binding to lipid surfaces. Biochim Biophys Acta. 2014; doi: 10.1016/j.bbamem.2014.07.012
Jaeschke H, Schaarschmidt J, Eszlinger M, Huth S, Puttinger R, Rittinger O, Meiler J, Paschke R. A newly discovered TSHR variant (L665F) associated with non-autoimmune hyperthyroidism in an Austrian family induces constitutive TSHR activation by steric repulsion between TM1 and TM7. J Clin Endocrinol Metab. 2014, doi: 10.1210/jc.2014-1436 .
Mäde V, Bellmann-Sickert K, Kaiser A, Meiler J, Beck-Sickinger AG. Position and Length of Fatty Acids Strongly Affect Receptor Selectivity Pattern of Human Pancreatic Polypeptide Analogs. ChemMedChem 2014, 9(11):2463-74.
Gimenez LE, Babilon S, Wanka L, Beck-Sickinger AG, Gurevich VV. Mutations in arrestin-3 differentially affect binding to neuropeptide Y receptor subtypes. Cell Signal. 2014; 26:1523-31.
Neumann W, Crews BC, Marnett LJ, Hey-Hawkins E. Conjugates of Cisplatin and Cyclooxygenase Inhibitors as Potent Antitumor Agents Overcoming Cisplatin Resistance. ChemMedChem 2014, 9, 1150–1153.
Pedragosa-Badia X, Sliwoski GR, Dong Nguyen E, Lindner D, Stichel J, Kaufmann KW, Meiler J, Beck-Sickinger AG. Pancreatic polypeptide is recognized by two hydrophobic domains of the human Y4 receptor binding pocket. J Biol Chem. 2014; 289:5846-59.
Alexander NS, Preininger AM, Kaya AI, Stein RA, Hamm HE, Meiler J. Energetic analysis of the rhodopsin-G-protein complex links the α5 helix to GDP release. Nat Struct Mol Biol. 2014; 21:56-63.
Lössl P, Kölbel K, Tänzler D, Nannemann D, Ihling CH, Keller MV, Schneider M, Zaucke F, Meiler J, Sinz A. Analysis of nidogen-1/laminin γ1 interaction by cross-linking, mass spectrometry, and computational modeling reveals multiple binding modes. PLoS One. 2014 Nov 11;9(11):e112886. doi: 10.1371/journal.pone.0112886 . eCollection 2014.
2013
Witte K, Kaiser A, Schmidt P, Splith V, Thomas L, Berndt S, Huster D, Beck-Sickinger AG. Oxidative in vitro folding of a cysteine deficient variant of the G protein-coupled neuropeptide Y receptor type 2 improves stability at high concentration. Biol Chem. 2013; 394:1045-56.
Zhuang T, Chen Q, Cho M-K, Vishnivetskiy SA, Iverson TM, Gurevich VV, Sanders CR. Involvement of Distinct Arrestin-1 Elements in Binding to Different Functional Forms of Rhodopsin. Proc Natl Acad Sci USA. 2013; 110:942-7.
Hofmann S, Frank R, Hey-Hawkins E, Beck-Sickinger AG, Schmidt P. Manipulating Y Receptor Subtype Activation of Short Neuropeptide Y Analogs by Introducing Carbaboranes. Neuropeptides. 2013; 47:59-66
Laube M, Neumann W, Scholz M, Lönnecke P, Crews B, Marnett LJ, Pietzsch J, Kniess T, Hey-Hawkins E. 2-Carbaborane-3-phenyl-1H-indoles-Synthesis via McMurry Reaction and Cyclooxygenase (COX) Inhibition Activity. (2013) ChemMedChem, 8:329-335
Deluca SH, Rathmann D, Beck-Sickinger AG, Meiler J. The activity of prolactin releasing peptide correlates with its helicity. (2013) Biopolymers, 99:314
Schmidt P, Ritscher L, Dong EN, Hermsdorf T, Cöster M, Wittkopf D, Meiler J, Schöneberg T. Identification of determinants required for agonistic and inverse agonistic ligand properties at the ADP receptor P2Y12. (2013) Mol Pharm, 83:256
2012
Rojas JM, Stafford JM, Saadat S, Printz RL, Beck-Sickinger AG, Niswender KD. Central nervous system neuropeptide Y signaling via the Y1 receptor partially dissociates feeding behavior from lipoprotein metabolism in lean rats. (2012) Am J Physiol Endocrinol Metab, 303:E1479-E1488.
Rathmann D, Lindner D, Deluca SH, Kaufmann KW, Meiler J, Beck-Sickinger AG. Ligand mimicking receptor variant discloses binding and activation mode of prolactin releasing peptide. (2012) J Biol Chem, 287:32181-32194
Scholz M, Blobaum AL, Marnett LJ, Hey-Hawkins E. ortho-Carbaborane derivatives of indomethacin as cyclooxygenase (COX)-2 selective inhibitors. (2012) Bioorg Med Chem, 20:4830-4937
Findeisen M, Würker C, Rathmann D, Meier R, Meiler J, Olsson R, Beck-Sickinger AG. Selective mode of action of guanidine-containing non-peptides at human NPFF receptors. (2012) J Med Chem, 55:6124 -6136
2011
Scholz M, Blobaum AL, Marnett LJ, Hey-Hawkins E. Synthesis and evaluation of carbaborane derivatives of indomethacin as cyclooxygenase inhibitors. Bioorg Med Chem. 2011; 19:3242-3248.
Schreiber A, Meiler J. Modellierung G-Protein-gekoppelter Rezeptoren mit ROSETTA. BIOspektrum. 2011; 17:158–161.
2010
Walther C, Nagel S, Gimenez LE, Mörl K, Gurevich VV, Beck-Sickinger AG. Ligand-induced internalization and recycling of the human neuropeptide Y-2 receptor Is regulated by its carboxyl- terminal tail. (2010) J Biol Chem, 285:41578-41590
Kalkhof S, Haehn S, Paulsson M, Smyth N, Meiler J, Sinz A. (2010) Computational modeling of laminin N-terminal domains using sparse distance constraints from disulfide bonds and chemical cross-linking. Proteins. 78(16):3409-27.