Schüler Group - Publications


Structure-activity relationships for inhibitors of Pseudomonas aeruginosa exoenzyme S ADP-ribosyltransferase activity. Saleeb M, Sundin C, Aglar Ö, Pinto AF, Ebrahimi M, Forsberg Å, Schüler H, Elofsson M. European Journal of Medicinal Chemistry 2017.

Design and synthesis of potent inhibitors of the mono(ADP-ribosyl)transferase, PARP14. Upton K, Meyers M, Thorsell AG, Karlberg T, Holechek J, Lease R, Schey G, Wolf E, Lucente A, Schüler H, Ferraris D. Bioorganic & Medicinal Chemistry Letters 2017.

Selectivity profile of the poly(ADP-ribose) polymerase (PARP) inhibitor, A-966492. Thorsell AG, Schüler H. bioRxiv 2017.

Small molecule microarray based discovery of PARP14 inhibitors. Peng B, Thorsell AG, Karlberg T, Schüler H, Yao SQ. Angewandte Chemie 2017.

Structural basis for potency and promiscuity in Poly(ADP-ribose) polymerase (PARP) and Tankyrase inhibitors. Thorsell AG, Ekblad T, Karlberg T, Löw M, Pinto AF, Tresaugues L, Moche M, Cohen MS, Schüler H. Journal of Medicinal Chemistry 2017.


Sister chromatid cohesion establishment factor ESCO1 operates by substrate-assisted catalysis. Kouznetsova E, Kanno T, Karlberg T, Thorsell AG, Wisniewska M, Kursula P, Sjögren C, Schüler H. Structure 2016.

DNA binding to SMC ATPases-trapped for release. Schüler H, Sjögren C. EMBO Journal 2016.

Identification of inhibitors of Pseudomonas aeruginosa Exotoxin-S ADP-Ribosyltransferase activity. Pinto AF, Ebrahimi M, Saleeb M, Forsberg Å, Elofsson M, Schüler H. Journal of Biomolecular Screening 2016.

Sirtuins are unaffected by parp inhibitors containing planar nicotinamide bioisosteres. Ekblad T, Schüler H. Chemical Biology and Drug Design 2016.


Tankyrase 1 Inhibitors with Drug-like Properties Identified by Screening a DNA-Encoded Chemical Library. Samain F, Ekblad T, Mikutis G, Zhong N, Zimmermann M, Nauer A, Bajic D, Decurtins W, Scheuermann J, Brown PJ, Hall J, Gräslund S, Schüler H, Neri D, Franzini RM. Journal of Medicinal Chemistry 2015.

Towards small molecule inhibitors of mono-ADP-ribosyltransferases. Ekblad T, Lindgren AE, Andersson CD, Caraballo R, Thorsell AG, Karlberg T, Spjut S, Linusson A, Schüler H, Elofsson M. European Journal of Medicinal Chemistry 2015.

Identification of Structure-Activity Relationships from Screening a Structurally Compact DNA-Encoded Chemical Library. Franzini RM, Ekblad T, Zhong N, Wichert M, Decurtins W, Nauer A, Zimmermann M, Samain F, Scheuermann J, Brown PJ, Hall J, Gräslund S, Schüler H, Neri D. Angewandte Chemie Int. Ed. 2015.

Structural Basis for Lack of ADP-Ribosyltransferase Activity in Poly(ADP-Ribose) Polymerase-13/Zinc Finger Antiviral Protein. Karlberg T, Klepsch M, Thorsell AG, Andersson CD, Linusson A, Schüler H. Journal of Biological Chemistry 2015.

Pivotal and Distinct Role for Plasmodium Actin Capping Protein alpha during Blood Infection of the Malaria Parasite. Ganter M, Rizopoulos Z, Schüler H, Matuschewski K. Molecular Microbiology 2015.

Comparative structural analysis of the putative mono-ADP-ribosyltransferase of the ARTD/PARP family. Pinto AF, Schüler H. Current Topics in Microbiology and Immunology 2015.


Design, synthesis, crystallographic studies, and preliminary biological appraisal of new substituted triazolo[4,3-b]pyridazin-8-amine derivatives as tankyrase inhibitors. Liscio P, Carotti A, Asciutti S, Karlberg T, Bellocchi D, Llacuna L, Macchiarulo A, Aaronson SA, Schüler H, Pellicciari R, Camaioni E. Journal of Medicinal Chemistry 2014.


Chemical probes to study ADP-ribosylation: synthesis and biochemical evaluation of inhibitors of the human ADP-ribosyltransferase ARTD3/PARP3. Lindgren AE, Karlberg T, Ekblad T, Spjut S, Thorsell AG, Andersson CD, Nhan TT, Hellsten V, Weigelt J, Linusson A, Schüler H, Elofsson M. Journal of Medicinal Chemistry 2013.

Pharmacology of ADP-ribosylation. Schüler H, Ziegler M. FEBS Journal 2013.

A PARP inhibitor with selectivity toward ADP-ribosyltransferase ARTD3/PARP3. Lindgren AEG, Karlberg T, Thorsell AG, Hesse M, Spjut S, Ekblad T, Andersson CD, Pinto AF, Weigelt J, Hottiger MO, Linusson A, Elofsson M, Schüler H. ACS Chemical Biology 2013.

PARP inhibitors: polypharmacology vs selective inhibition. Ekblad T, Camaioni E, Schüler H, Macchiarulo A. FEBS Journal 2013.

Recognition of mono-ADP-ribosylated ARTD10 substrates by ARTD8 macrodomains. Forst AH, Karlberg T, Herzog N, Thorsell AG, Gross A, Feijs KLH, Verheugd P, Kursula P, Nijmeijer B, Kremmer E, Kleine H, Ladurner AG, Schüler H, Lüscher B. Structure 2013.

Structural biology of the writers, readers, and erasers in mono- and poly(ADP-ribose) mediated signaling. Karlberg T, Langelier MF, Pascal JM, Schüler H. Molecular Aspects of Medicine 2013.


Discovery of ligands for ADP-ribosyltransferases via docking-based virtual screening. Andersson CD, Karlberg T, Ekblad T, Lindgren AEG, Thorsell AG, Spjut S, Uciechowska U, Niemiec MS, Wittung-Stafshede PEL, Weigelt J, Elofsson M, Schüler H, Linusson A. Journal of Medicinal Chemistry 2012.

Crystal structure of human ADP-ribose transferase ARTD15/poly-ADP-ribose polymerase-16 (PARP16) reveals a novel putative regulatory domain. Karlberg T, Thorsell AG, Kallas Å, Schüler H. Journal of Biological Chemistry 2012.

Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Thangavelu K, Pan CQ, Karlberg T, Balaji G, Uttamchandani M, Suresh V, Schüler H, Low BC, Sivaraman J. Proceedings of the National Academy of Sciences of the U.S.A. 2012.

Family wide chemical profiling and structural analysis of PARP and Tankyrase inhibitors. Wahlberg E, Karlberg T, Kouznetsova E, Markova N, Macchiarulo A, Thorsell AG, Pol E, Frostell Å, Ekblad T, Öncü D, Kull B, Robertson GM, Pellicciari R, Schüler H, Weigelt J. Nature Biotechnology 2012.

Biochemical discrimination between selenium and sulfur 1: A single residue provides selenium specificity to human selenocysteine lyase. Collins R, Johansson A-L, Karlberg T, Markova N, van den Berg S, Olesen K, Hammarström M, Flores A, Schüler H, Schiavone LH, Brzezinski P, Arnér ESJ, Högbom M. PLoS One 2012.

The corky root rot pathogen Pyrenochaeta lycopersici secretes a proteinaceous inducer of cell death affecting host plants differentially. Clergeot PH, Schüler H, Mørtz E, Brus M, Vintila S, Ekengren S. Phytopathology 2012.


Cofactor mobility determines reaction outcome in the IMPDH and GMPR (Β-α)8 barrel enzymes. Patton GC, Stenmark P, Gollapalli DR, Sevastik R, Kursula P, Flodin S, Schüler H, Swales CT, Eklund H, Himo F, Nordlund P, Hedström L. Nature Chemical Biology 2011.

Crystal structures explain functional differences in the two actin depolymerization factors of the malaria parasite. Singh BK, Sattler JM, Chatterjee M, Huttu J, Schüler H, Kursula I. Journal of Biological Chemistry 2011.

Critical role for a stage-specific actin in male exflagellation of the malaria parasite. Deligianni E, Morgan RN, Bertuccini L, Kooij TW, Laforge A, Nahar C, Poulakakis N, Schüler H, Louis C, Matuschewski K, Siden-Kiamos I. Cellular Microbiology 2011.

Comparative structural analysis of lipid binding START domains. Thorsell AG, Lee WH, Persson C, Siponen MI, Nilsson M, Busam RD, Kotenyova T, Schüler H, Lehtiö L. PLoS One 2011.

Actin regulation in the malaria parasite. Sattler JM, Ganter M, Hliscs M, Matuschewski K, Schüler H. European Journal of Cell Biology 2011.


Schütz P, Karlberg T, van den Berg S, Collins R, Lehtiö L, Högbom M, Holmberg-Schiavone L, Tempel W, Park HW, Hammarström M, Moche M, Thorsell AG, Schüler H. Comparative structural analysis of human DEAD-box RNA helicases. PLoS One 2010. PMID: 20941364

Siden-Kiamos I, Schüler H, Liakopoulos D, Louis C. Arp1, an actin-related protein, in Plasmodium berghei. Molecular and Biochemical Parasitology 2010. PMID: 20580650

Karlberg T, Markova N, Johansson I, Hammarström M, Schütz P, Weigelt J, Schüler H. Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor. Journal of Medicinal Chemistry 2010. PMID: 20565110

Schütz P, Wahlberg E, Karlberg T, Hammarström M, Collins R, Flores A, Schüler H. Crystal structure of human RNA helicase A (DHX9): structural basis for unselective nucleotide base binding in a DEAD-box variant protein. Journal of Molecular Biology 2010. PMID: 20510246

Huttu J, Singh BK, Bhargav SP, Sattler JM, Schüler H, Kursula I. Crystallization and preliminary structural characterization of the two actin-depolymerization factors of the malaria parasite. Acta Crystallographica Section F 2010. PMID: 20445265

Hottiger MO, Hassa PO, Lüscher B, Schüler H, Koch-Nolte F. Toward a unified nomenclature for mammalian ADP-ribosyltransferases. Trends in Biochemical Sciences 2010. PMID: 20106667

Karlberg T, Hammarström M, Schütz P, Svensson L, Schüler H. Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888. Biochemistry 2010. PMID: 20092359

Hliscs M, Sattler JM, Tempel W, Artz JD, Dong A, Hui R, Matuschewski K, Schüler H. Structure and function of a G-actin sequestering protein with a vital role in malaria oocyst development inside the mosquito vector. Journal of Biological Chemistry 2010. PMID: 20083609

Wisniewska M, Karlberg T, Lehtiö L, Johansson I, Kotenyova T, Moche M, Schüler H. Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78. PLoS One 2010. PMID: 20072699

Loseva O, Jemth AS, Bryant HE, Schüler H, Lehtiö L, Karlberg T, Helleday T. Poly(ADP-ribose) polymerase-3 (PARP-3) is a mono-ADP ribosylase that activates PARP-1 in absence of DNA. Journal of Biological Chemistry 2010. PMID: 20064938


Karlberg T, van den Berg S, Hammarström M, Sagemark J, Johansson I, Holmberg-Schiavone L, Schüler H. Crystal structure of the ATPase domain of the human AAA+ protein paraplegin/SPG7. PLoS One 2009. PMID: 19841671

Ganter M, Schüler H, Matuschewski K. Vital role for the Plasmodium actin capping protein (CP) beta-subunit in motility of malaria sporozoites. Molecular Microbiology 2009. PMID: 19682250

Lehtiö L, Jemth AS, Collins R, Loseva O, Johansson A, Markova N, Hammarström M, Flores A, Holmberg-Schiavone L, Weigelt J, Helleday T, Schüler H, Karlberg T. Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. Journal of Medicinal Chemistry 2009. PMID: 19354255

Collins R, Karlberg T, Lehtiö L, Schütz P, van den Berg S, Dahlgren LG, Hammarström M, Weigelt J, Schüler H. The DEXD/H-box RNA helicase DDX19 is regulated by an α-helical switch. Journal of Biological Chemistry 2009. PMID: 19244245

Sun Q, Collins R, Huang S, Holmberg-Schiavone L, Anand GS, Tan CH, van-den-Berg S, Deng LW, Moore PK, Karlberg T, Sivaraman J. Structural basis for the inhibition mechanism of human cystathionine γ-lyase, an enzyme responsible for the production of H2S. Journal of Biological Chemistry 2009. PMID: 19019829