Chora AF, Pedroso D, Kyriakou E, Pejanovic N, Colaço H, Gozzelino R, Barros A, Willmann K, Velho T, Moita CF, Santos I, Pereira P, Carvalho S, Martins FB, Ferreira JA, de Almeida SF, Benes V, Anrather J, Weis S, Soares MP, Geerlof A, Neefjes J, Sattler M, Messias AC, Neves-Costa A, Moita LF (2022)
DNA damage independent inhibition of NF-κB transcription by anthracyclines.
eLife, Vol. 11
DOI: 10.7554/eLife.77443, PubMed: 36476511 |
Roessler J, Pich D, Albanese M, Wratil PR, Krähling V, Hellmuth JC, Scherer C, von Bergwelt-Baildon M, Becker S, Keppler OT, Brisson A, Zeidler R, Hammerschmidt W (2022)
Quantitation of SARS-CoV-2 neutralizing antibodies with a virus-free, authentic test.
PNAS nexus, Issue 2, Vol. 1
DOI: 10.1093/pnasnexus/pgac045, PubMed: 36382127 |
Daniilidis M, Brandl MJ, Hagn F (2022)
The Advanced Properties of Circularized MSP Nanodiscs Facilitate High-resolution NMR Studies of Membrane Proteins.
Journal of molecular biology, Issue 24, Vol. 434, 167861
DOI: 10.1016/j.jmb.2022.167861, PubMed: 36273602 |
Narayanan D, Tran KT, Pallesen JS, Solbak SMØ, Qin Y, Mukminova E, Luchini M, Vasilyeva KO, González Chichón D, Goutsiou G, Poulsen C, Haapanen N, Popowicz GM, Sattler M, Olagnier D, Gajhede M, Bach A (2022)
Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
Journal of medicinal chemistry, Issue 21, Vol. 65, 14481-14526
DOI: 10.1021/acs.jmedchem.2c00830, PubMed: 36263945 |
Napolitano V, Mróz P, Marciniak M, Kalel VC, Softley CA, Janna Olmos JD, Tippler BG, Schorpp K, Rioton S, Fröhlich T, Plettenburg O, Hadian K, Erdmann R, Sattler M, Popowicz GM, Dawidowski M, Dubin G (2022)
Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma.
European journal of medicinal chemistry, Vol. 243, 114778
DOI: 10.1016/j.ejmech.2022.114778, PubMed: 36194937 |
Xue K, Sarkar R, Tošner Z, Reif B (2022)
Field and magic angle spinning frequency dependence of proton resonances in rotating solids.
Progress in nuclear magnetic resonance spectroscopy, Vol. 130-131, 47-61
DOI: 10.1016/j.pnmrs.2022.04.001, PubMed: 36113917 |
Blahut J, Brandl MJ, Pradhan T, Reif B, Tošner Z (2022)
Sensitivity-Enhanced Multidimensional Solid-State NMR Spectroscopy by Optimal-Control-Based Transverse Mixing Sequences.
Journal of the American Chemical Society, Issue 38, Vol. 144, 17336-17340
DOI: 10.1021/jacs.2c06568, PubMed: 36074981 |
Kitel R, Rodríguez I, Del Corte X, Atmaj J, Żarnik M, Surmiak E, Muszak D, Magiera-Mularz K, Popowicz GM, Holak TA, Musielak B (2022)
Exploring the Surface of the Ectodomain of the PD-L1 Immune Checkpoint with Small-Molecule Fragments.
ACS chemical biology, Issue 9, Vol. 17, 2655-2663
DOI: 10.1021/acschembio.2c00583, PubMed: 36073782 |
Napolitano V, Softley CA, Blat A, Kalel VC, Schorpp K, Siebenmorgen T, Hadian K, Erdmann R, Sattler M, Popowicz GM, Dubin G (2022)
Small molecule mediated inhibition of protein cargo recognition by peroxisomal transport receptor PEX5 is toxic to Trypanosoma.
Scientific reports, Issue 1, Vol. 12, 14705
DOI: 10.1038/s41598-022-18841-1, PubMed: 36038611 |
Kreft L, Schepers A, Hils M, Swiontek K, Flatley A, Janowski R, Mirzaei MK, Dittmar M, Chakrapani N, Desai MS, Eyerich S, Deng L, Niessing D, Fischer K, Feederle R, Blank S, Schmidt-Weber CB, Hilger C, Biedermann T, Ohnmacht C (2022)
A novel monoclonal IgG1 antibody specific for Galactose-alpha-1,3-galactose questions alpha-Gal epitope expression by bacteria.
Frontiers in immunology, Vol. 13, 958952
DOI: 10.3389/fimmu.2022.958952, PubMed: 35990627 |
Tetko IV, Klambauer G, Clevert DA, Shah I, Benfenati E (2022)
Artificial Intelligence Meets Toxicology.
Chemical research in toxicology, Issue 8, Vol. 35, 1289-1290
DOI: 10.1021/acs.chemrestox.2c00196, PubMed: 35965447 |
Menezes F, Popowicz GM (2022)
ULYSSES: An Efficient and Easy to Use Semiempirical Library for C+.
Journal of chemical information and modeling, Issue 16, Vol. 62, 3685-3694
DOI: 10.1021/acs.jcim.2c00757, PubMed: 35930308 |
Sundaria A, Liberta F, Savran D, Sarkar R, Rodina N, Peters C, Schwierz N, Haupt C, Schmidt M, Reif B (2022)
SAA fibrils involved in AA amyloidosis are similar in bulk and by single particle reconstitution: A MAS solid-state NMR study.
Journal of structural biology: X, Vol. 6, 100069
DOI: 10.1016/j.yjsbx.2022.100069, PubMed: 35924280 |
Jones AN, Graß C, Meininger I, Geerlof A, Klostermann M, Zarnack K, Krappmann D, Sattler M (2022)
Modulation of pre-mRNA structure by hnRNP proteins regulates alternative splicing of MALT1.
Science advances, Issue 31, Vol. 8, eabp9153
DOI: 10.1126/sciadv.abp9153, PubMed: 35921415 |
Hiepp L, Mayr D, Gärtner K, Schmoeckel E, Klauschen F, Burges A, Mahner S, Zeidler R, Czogalla B (2022)
Carbonic anhydrase XII as biomarker and therapeutic target in ovarian carcinomas.
PloS one, Issue 7, Vol. 17, e0271630
DOI: 10.1371/journal.pone.0271630, PubMed: 35901081 |
Menezes F, Popowicz GM (2022)
Acid Rain and Flue Gas: Quantum Chemical Hydrolysis of NO2.
Chemphyschem : a European journal of chemical physics and physical chemistry, Issue 21, Vol. 23, e202200395
DOI: 10.1002/cphc.202200395, PubMed: 35875889 |
Nguyen A, Gemmecker G, Softley CA, Movsisyan LD, Pfaffeneder T, Heine A, Reuter K, Diederich F, Sattler M, Klebe G (2022)
19F-NMR Unveils the Ligand-Induced Conformation of a Catalytically Inactive Twisted Homodimer of tRNA-Guanine Transglycosylase.
ACS chemical biology, Issue 7, Vol. 17, 1745-1755
DOI: 10.1021/acschembio.2c00080, PubMed: 35763700 |
Jones AN, Walbrun A, Falleroni F, Rief M, Sattler M (2022)
Conformational Effects of a Cancer-Linked Mutation in Pri-miR-30c RNA.
Journal of molecular biology, Issue 18, Vol. 434, 167705
DOI: 10.1016/j.jmb.2022.167705, PubMed: 35760371 |
Mohid SA, Biswas K, Won T, Mallela LS, Gucchait A, Butzke L, Sarkar R, Barkham T, Reif B, Leipold E, Roy S, Misra AK, Lakshminarayanan R, Lee D, Bhunia A (2022)
Structural insights into the interaction of antifungal peptides and ergosterol containing fungal membrane.
Biochimica et biophysica acta. Biomembranes, Issue 10, Vol. 1864, 183996
DOI: 10.1016/j.bbamem.2022.183996, PubMed: 35753394 |
Menezes F, Popowicz GM (2022)
How to Catch the Ball: Fullerene Binding to the Corannulene Pincer.
Molecules (Basel, Switzerland), Issue 12, Vol. 27
DOI: 10.3390/molecules27123838, PubMed: 35744963 |
Opdensteinen P, Sperl LE, Mohamadi M, Kündgen-Redding N, Hagn F, Buyel JF (2022)
The transient expression of recombinant proteins in plant cell packs facilitates stable isotope labelling for NMR spectroscopy.
Plant biotechnology journal, Issue 10, Vol. 20, 1928-1939
DOI: 10.1111/pbi.13873, PubMed: 35702941 |
Jones AN, Mourão A, Czarna A, Matsuda A, Fino R, Pyrc K, Sattler M, Popowicz GM (2022)
Characterization of SARS-CoV-2 replication complex elongation and proofreading activity.
Scientific reports, Issue 1, Vol. 12, 9593
DOI: 10.1038/s41598-022-13380-1, PubMed: 35688849 |
Jussupow A, Lopez A, Baumgart M, Mader SL, Sattler M, Kaila VRI (2022)
Extended conformational states dominate the Hsp90 chaperone dynamics.
The Journal of biological chemistry, Issue 7, Vol. 298, 102101
DOI: 10.1016/j.jbc.2022.102101, PubMed: 35667441 |
Czarna A, Plewka J, Kresik L, Matsuda A, Karim A, Robinson C, O'Byrne S, Cunningham F, Georgiou I, Wilk P, Pachota M, Popowicz G, Wyatt PG, Dubin G, Pyrć K (2022)
Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity.
Structure (London, England : 1993), Issue 8, Vol. 30, 1050-1054.e2
DOI: 10.1016/j.str.2022.04.014, PubMed: 35609600 |
Spreitzer E, Alderson TR, Bourgeois B, Eggenreich L, Habacher H, Brahmersdorfer G, Pritišanac I, Sánchez-Murcia PA, Madl T (2022)
FOXO transcription factors differ in their dynamics and intra/intermolecular interactions.
Current research in structural biology, Vol. 4, 118-133
DOI: 10.1016/j.crstbi.2022.04.001, PubMed: 35573459 |
Popowicz GM, Pyrc K, Hadian K (2022)
Vaccination versus SARS-CoV-2 Omicron: three vaccine doses win the battle.
Signal transduction and targeted therapy, Issue 1, Vol. 7, 140
DOI: 10.1038/s41392-022-01000-3, PubMed: 35477929 |
Kellner M, von Neubeck B, Czogalla B, Feederle R, Vick B, Jeremias I, Zeidler R (2022)
A Novel Anti-CD73 Antibody That Selectively Inhibits Membrane CD73 Shows Antitumor Activity and Induces Tumor Immune Escape.
Biomedicines, Issue 4, Vol. 10
DOI: 10.3390/biomedicines10040825, PubMed: 35453575 |
Metelytsia LO, Hodyna DM, Semenyuta IV, Kovalishyn VV, Rogalsky SP, Derevianko KY, Brovarets VS, Tetko IV (2022)
Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR Acinetobacter baumannii.
Antibiotics (Basel, Switzerland), Issue 4, Vol. 11
DOI: 10.3390/antibiotics11040491, PubMed: 35453241 |
Jessberger N, Diedrich R, Janowski R, Niessing D, Märtlbauer E (2022)
Presence and function of Hbl B', the fourth protein component encoded by the hbl operon in Bacillus cereus.
Virulence, Issue 1, Vol. 13, 483-501
DOI: 10.1080/21505594.2022.2046951, PubMed: 35291913 |
Kogan PS, Wirth F, Tomar A, Darr J, Teperino R, Lahm H, Dreßen M, Puluca N, Zhang Z, Neb I, Beck N, Luzius T, de la Osa de la Rosa L, Gärtner K, Hüls C, Zeidler R, Ramanujam D, Engelhardt S, Wenk C, Holdt LM, Mononen M, Sahara M, Cleuziou J, Hörer J, Lange R, Krane M, Doppler SA (2022)
Uncovering the molecular identity of cardiosphere-derived cells (CDCs) by single-cell RNA sequencing.
Basic research in cardiology, Issue 1, Vol. 117, 11
DOI: 10.1007/s00395-022-00913-y, PubMed: 35258704 |
Schuhmann P, Engstler C, Klöpfer K, Gügel IL, Abbadi A, Dreyer F, Leckband G, Bölter B, Hagn F, Soll J, Carrie C (2022)
Two wrongs make a right: heat stress reversion of a male-sterile Brassica napus line.
Journal of experimental botany, Issue 11, Vol. 73, 3531-3551
DOI: 10.1093/jxb/erac082, PubMed: 35226731 |
Zinngrebe J, Moepps B, Monecke T, Gierschik P, Schlichtig F, Barth TFE, Strauß G, Boldrin E, Posovszky C, Schulz A, Beringer O, Rieser E, Jacobsen EM, Lorenz MR, Schwarz K, Pannicke U, Walczak H, Niessing D, Schuetz C, Fischer-Posovszky P, Debatin KM (2022)
Compound heterozygous variants in OTULIN are associated with fulminant atypical late-onset ORAS.
EMBO molecular medicine, Issue 3, Vol. 14, e14901
DOI: 10.15252/emmm.202114901, PubMed: 35170849 |
Jones AN, Tikhaia E, Mourão A, Sattler M (2022)
Structural effects of m6A modification of the Xist A-repeat AUCG tetraloop and its recognition by YTHDC1.
Nucleic acids research, Issue 4, Vol. 50, 2350-2362
DOI: 10.1093/nar/gkac080, PubMed: 35166835 |
Rusanov AI, Dmitrieva OA, Mamardashvili NZ, Tetko IV (2022)
More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins.
International journal of molecular sciences, Issue 3, Vol. 23
DOI: 10.3390/ijms23031201, PubMed: 35163123 |
Margreiter MA, Witzenberger M, Wasser Y, Davydova E, Janowski R, Metz J, Habib P, Sahnoun SEM, Sobisch C, Poma B, Palomino-Hernandez O, Wagner M, Carell T, Jon Shah N, Schulz JB, Niessing D, Voigt A, Rossetti G (2022)
Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Computational and structural biotechnology journal, Vol. 20, 443-458
DOI: 10.1016/j.csbj.2021.12.029, PubMed: 35070167 |
Biebl MM, Delhommel F, Faust O, Zak KM, Agam G, Guo X, Mühlhofer M, Dahiya V, Hillebrand D, Popowicz GM, Kampmann M, Lamb DC, Rosenzweig R, Sattler M, Buchner J (2022)
NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems.
Molecular cell, Issue 3, Vol. 82, 555-569.e7
DOI: 10.1016/j.molcel.2021.12.031, PubMed: 35063133 |
Testa C, Papini AM, Zeidler R, Vullo D, Carta F, Supuran CT, Rovero P (2022)
First studies on tumor associated carbonic anhydrases IX and XII monoclonal antibodies conjugated to small molecule inhibitors.
Journal of enzyme inhibition and medicinal chemistry, Issue 1, Vol. 37, 592-596
DOI: 10.1080/14756366.2021.2004593, PubMed: 35057692 |
Napolitano V, Dabrowska A, Schorpp K, Mourão A, Barreto-Duran E, Benedyk M, Botwina P, Brandner S, Bostock M, Chykunova Y, Czarna A, Dubin G, Fröhlich T, Hölscher M, Jedrysik M, Matsuda A, Owczarek K, Pachota M, Plettenburg O, Potempa J, Rothenaigner I, Schlauderer F, Slysz K, Szczepanski A, Greve-Isdahl Mohn K, Blomberg B, Sattler M, Hadian K, Popowicz GM, Pyrc K (2022)
Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses.
Cell chemical biology, Issue 5, Vol. 29, 774-784.e8
DOI: 10.1016/j.chembiol.2021.11.006, PubMed: 35021060 |
Bernaudat F, Gustems M, Günther J, Oliva MF, Buschle A, Göbel C, Pagniez P, Lupo J, Signor L, Müller CW, Morand P, Sattler M, Hammerschmidt W, Petosa C (2022)
Structural basis of DNA methylation-dependent site selectivity of the Epstein-Barr virus lytic switch protein ZEBRA/Zta/BZLF1.
Nucleic acids research, Issue 1, Vol. 50, 490-511
DOI: 10.1093/nar/gkab1183, PubMed: 34893887 |
Sahoo BR, Souders 2nd CL, Watanabe-Nakayama T, Deng Z, Linton H, Suladze S, Ivanova MI, Reif B, Ando T, Martyniuk CJ, Ramamoorthy A (2022)
Conformational Tuning of Amylin by Charged Styrene-Maleic-Acid Copolymers.
Journal of molecular biology, Issue 2, Vol. 434, 167385
DOI: 10.1016/j.jmb.2021.167385, PubMed: 34883118 |
Reif B (2022)
Deuteration for High-Resolution Detection of Protons in Protein Magic Angle Spinning (MAS) Solid-State NMR.
Chemical reviews, Issue 10, Vol. 122, 10019-10035
DOI: 10.1021/acs.chemrev.1c00681, PubMed: 34870415 |
Borchard S, Raschke S, Zak KM, Eberhagen C, Einer C, Weber E, Müller SM, Michalke B, Lichtmannegger J, Wieser A, Rieder T, Popowicz GM, Adamski J, Klingenspor M, Coles AH, Viana R, Vendelbo MH, Sandahl TD, Schwerdtle T, Plitz T, Zischka H (2022)
Bis-choline tetrathiomolybdate prevents copper-induced blood-brain barrier damage.
Life science alliance, Issue 3, Vol. 5
DOI: 10.26508/lsa.202101164, PubMed: 34857647 |
Mishra K, Fuenzalida-Werner JP, Pennacchietti F, Janowski R, Chmyrov A, Huang Y, Zakian C, Klemm U, Testa I, Niessing D, Ntziachristos V, Stiel AC (2022)
Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nature biotechnology, Issue 4, Vol. 40, 598-605
DOI: 10.1038/s41587-021-01100-5, PubMed: 34845372 |
Heumüller AW, Jones AN, Mourão A, Klangwart M, Shi C, Wittig I, Fischer A, Muhly-Reinholz M, Buchmann GK, Dieterich C, Potente M, Braun T, Grote P, Jaé N, Sattler M, Dimmeler S (2022)
Locus-Conserved Circular RNA cZNF292 Controls Endothelial Cell Flow Responses.
Circulation research, Issue 1, Vol. 130, 67-79
DOI: 10.1161/CIRCRESAHA.121.320029, PubMed: 34789007 |
Ksenofontov AA, Lukanov MM, Bocharov PS, Berezin MB, Tetko IV (2022)
Deep neural network model for highly accurate prediction of BODIPYs absorption.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, Issue Pt 2, Vol. 267, 120577
DOI: 10.1016/j.saa.2021.120577, PubMed: 34776377 |
Chrustowicz J, Sherpa D, Teyra J, Loke MS, Popowicz GM, Basquin J, Sattler M, Prabu JR, Sidhu SS, Schulman BA (2022)
Multifaceted N-Degron Recognition and Ubiquitylation by GID/CTLH E3 Ligases.
Journal of molecular biology, Issue 2, Vol. 434, 167347
DOI: 10.1016/j.jmb.2021.167347, PubMed: 34767800 |
Ghosh D, Koch U, Hadian K, Sattler M, Tetko IV (2022)
Highly Accurate Filters to Flag Frequent Hitters in AlphaScreen Assays by Suggesting their Mechanism.
Molecular informatics, Issue 3, Vol. 41, e2100151
DOI: 10.1002/minf.202100151, PubMed: 34676998 |
Günsel U, Hagn F (2022)
Lipid Nanodiscs for High-Resolution NMR Studies of Membrane Proteins.
Chemical reviews, Issue 10, Vol. 122, 9395-9421
DOI: 10.1021/acs.chemrev.1c00702, PubMed: 34665588 |
