Publications

Bobadilla Ugarte P, Halter S, Mutte SK, Heijstek C, Niault T, Terenin I, et al.
Cyanobacterial Argonautes and Cas4 family nucleases cooperate to interfere with invading DNA
Molecular Cell. 2025; 85(10): 1920-1937.e10. https://doi.org/10.1016/j.molcel.2025.03.025
DORA PSI

Eggerichs D, Weddeling HG, Alvigini L, Rapsch T, Weindorf N, Mattevi A, et al.
Kinetic and structural investigation of the 4-allyl syringol oxidase from Streptomyces cavernae
Archives of Biochemistry and Biophysics. 2025; 765: 110320 (9 pp.). https://doi.org/10.1016/j.abb.2025.110320
DORA PSI

Galuskina IO, Krüger B, Galuskin EV, Krüger H, Vapnik Y, Murashko M, et al.
Zoharite (Ba,K)₆ (Fe,Cu,Ni)₂₅S₂₇, and Gmalimite, K₆□Fe²⁺₂₄S₂₇—New Djerfisherite group minerals from Gehlenite-wollastonite paralava, Hatrurim complex, Israel
Minerals. 2025; 15(6): 564 (20 pp.). https://doi.org/10.3390/min15060564
DORA PSI

Hainzl T, Scortti M, Lindgren C, Grundström C, Krypotou E, Vázquez-Boland JA, et al.
Structural basis of promiscuous inhibition of Listeria virulence activator PrfA by oligopeptides
Cell Reports. 2025; 44(2): 115290 (16 pp.). https://doi.org/10.1016/j.celrep.2025.115290
DORA PSI

Hazemann J, Kimmerlin T, Mac Sweeney A, Bourquin G, Lange R, Ritz D, et al.
Accelerating the hit-to-lead optimization of a SARS-CoV-2 Mpro inhibitor series by combining high-throughput medicinal chemistry and computational simulations
Journal of Medicinal Chemistry. 2025; 68(8): 8269-8294. https://doi.org/10.1021/acs.jmedchem.4c02941
DORA PSI

Liaci AM, Chandra N, Vodnala SM, Strebl M, Kumar P, Pfenning V, et al.
Extended receptor repertoire of an adenovirus associated with human obesity
PLoS Pathogens. 2025; 21(1): e1012892 (28 pp.). https://doi.org/10.1371/journal.ppat.1012892
DORA PSI

Loeff L, Walter A, Rosalen GT, Jinek M
DNA end sensing and cleavage by the Shedu anti-phage defense system
Cell. 2025: 721-733. https://doi.org/10.1016/j.cell.2024.11.030
DORA PSI

Maspero E, Cappa A, Weber J, Trifirò P, Amici R, Bruno A, et al.
Structure-based design of potent and selective inhibitors of the HECT ligase NEDD4
Communications Chemistry. 2025; 8(1): 164. https://doi.org/10.1038/s42004-025-01557-4
DORA PSI

Moussawi MA, de Azambuja F, Parac-Vogt TN
Discrete hybrid vanadium-oxo cluster as a targeted tool for selective protein oxidative modifications and cleavage
Angewandte Chemie International Edition. 2025; 64(13): e202423078 (7 pp.). https://doi.org/10.1002/anie.202423078
DORA PSI

Mühle J, Alenfelder J, Rodrigues MJ, Jürgenliemke L, Guixà-González R, Grätz L, et al.
Cyclic peptide inhibitors function as molecular glues to stabilize Gq/11 heterotrimers
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2025; 122(19): e2418398122 (12 pp.). https://doi.org/10.1073/pnas.2418398122
DORA PSI

Raia P, Lee K, Bartsch SM, Rico-Resendiz F, Portugal-Calisto D, Vadas O, et al.
A small signaling domain controls PPIP5K phosphatase activity in phosphate homeostasis
Nature Communications. 2025; 16(1): 1753 (20 pp.). https://doi.org/10.1038/s41467-025-56937-0
DORA PSI

Rothman AMK, Florentin A, Zink F, Quigley C, Bonneau O, Hemmig R, et al.
Therapeutic potential of allosteric HECT E3 ligase inhibition
Cell. 2025; 188(10): 2603-2620.e18. https://doi.org/10.1016/j.cell.2025.03.001
DORA PSI

Rowland CE, Newman H, Martin TT, Dods R, Bournakas N, Wagstaff JM, et al.
Discovery and chemical optimisation of a potent, Bi-cyclic antimicrobial inhibitor of Escherichia coli PBP3
Communications Biology. 2025; 8(1): 819 (11 pp.). https://doi.org/10.1038/s42003-025-08246-x
DORA PSI

Tröster V, Wong RP, Börgel A, Cakilkaya B, Renz C, Möckel MM, et al.
Custom affinity probes reveal DNA-damage-induced, ssDNA-independent chromatin SUMOylation in budding yeast
Cell Reports. 2025; 44(3): 115353 (22 pp.). https://doi.org/10.1016/j.celrep.2025.115353
DORA PSI

Wang W, Tachibana R, Zhang K, Lau K, Pojer F, Ward TR, et al.
Artificial metalloenzymes with two catalytic cofactors for tandem abiotic transformations
Angewandte Chemie International Edition. 2025; 64(8): e202422783 (8 pp.). https://doi.org/10.1002/anie.202422783
DORA PSI

Wang G, Seidler NJ, Röhm S, Pan Y, Liang XJ, Haarer L, et al.
Probing the protein kinases′ cysteinome by covalent fragments
Angewandte Chemie International Edition. 2025; 64(8): e202419736 (12 pp.). https://doi.org/10.1002/anie.202419736
DORA PSI

Yamada C, Kato T, Shiono Y, Koseki T, Fushinobu S
Identification and structural characterization of a novel acetyl xylan esterase from Aspergillus oryzae
FEBS Journal. 2025; 292(10): 2527-2544. https://doi.org/10.1111/febs.17420
DORA PSI

Yang X, Stentenbach M, Hughes LA, Siira SJ, Lau K, Hothorn M, et al.
The Vsr-like protein FASTKD4 regulates the stability and polyadenylation of the MT-ND3 mRNA
Nucleic Acids Research. 2025; 53(4): gkae1261 (11 pp.). https://doi.org/10.1093/nar/gkae1261
DORA PSI

Yin MD, Lemaire ON, Rosas Jiménez JG, Belhamri M, Shevchenko A, Hummer G, et al.
Conformational dynamics of a multienzyme complex in anaerobic carbon fixation
Science. 2025; 387(6733): 498-504. https://doi.org/10.1126/science.adr9672
DORA PSI

Zumbrunn C, Remen L, Sager CP, Grisostomi C, Stamm C, Krüsi D, et al.
Discovery of Galactopyranose-1-carboxamides as a new class of small, novel, potent, selective, and orally active Galectin-3 inhibitors
ChemMedChem. 2025; 20(10): e202401012 (7 pp.). https://doi.org/10.1002/cmdc.202401012
DORA PSI

Atkinson SJ, Bagal SK, Argyrou A, Askin S, Cheung T, Chiarparin E, et al.
Development of a series of pyrrolopyridone MAT2A inhibitors
Journal of Medicinal Chemistry. 2024; 67(6): 4541-4559. https://doi.org/10.1021/acs.jmedchem.3c01860
DORA PSI

Batchelor LK, De Falco L, Dyson PJ, Davey CA
Viral peptide conjugates for metal-warhead delivery to chromatin
RSC Advances. 2024; 14(13): 8718-8725. https://doi.org/10.1039/d4ra01617c
DORA PSI

Bauer N, Balourdas DI, Schneider JR, Zhang X, Berger LM, Berger BT, et al.
Development of potent dual BET/HDAC inhibitors via pharmacophore merging and structure-guided optimization
ACS Chemical Biology. 2024; 19(2): 266-279. https://doi.org/10.1021/acschembio.3c00427
DORA PSI

Cadoux C, Maslać N, Bolte P, Murken F, Gu W, Milton RD, et al.
Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales
FEBS Journal. 2024; 291(15): 3454-3480. https://doi.org/10.1111/febs.17148
DORA PSI

Compain G, Monsarrat C, Blagojevic J, Brillet K, Dumas P, Hammann P, et al.
Peptide-based covalent inhibitors bearing mild electrophiles to target a conserved his residue of the bacterial sliding clamp
JACS Au. 2024; 4(2): 432-440. https://doi.org/10.1021/jacsau.3c00572
DORA PSI

D'Agostino M, Simonetti A, Motta S, Wolff P, Romagnoli A, Piccinini A, et al.
Crystal structure of archaeal IF5A-DHS complex reveals insights into the hypusination mechanism
Structure. 2024; 32(7): 878-888.e4. https://doi.org/10.1016/j.str.2024.03.008
DORA PSI

Dessin C, Schachtsiek T, Voss J, Abel AC, Neumann B, Stammler HG, et al.
Highly cytotoxic cryptophycin derivatives with modification in unit D for conjugation
Angewandte Chemie International Edition. 2024; 63(50): e202416210 (13 pp.). https://doi.org/10.1002/anie.202416210
DORA PSI

Engelhardt MU, Zimmermann MO, Dammann M, Stahlecker J, Poso A, Kronenberger T, et al.
Halogen bonding on water─a drop in the ocean?
Journal of Chemical Theory and Computation. 2024; 20(23): 10716-10730. https://doi.org/10.1021/acs.jctc.4c00834
DORA PSI

Fu C, Liu Y, Walt C, Rasheed S, Bader CD, Lukat P, et al.
Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins
Nature Communications. 2024; 15(1): 791 (13 pp.). https://doi.org/10.1038/s41467-024-44953-5
DORA PSI

Galuskin EV, Krüger B, Galuskina IO, Krüger H, Nejbert K, Vapnik Y
Gorerite, CaAlFe₁₁O_19, a new mineral of the magnetoplumbite group from the Negev Desert, Israel
Mineralogical Magazine. 2024; 88: 451-460. https://doi.org/10.1180/mgm.2024.30
DORA PSI

Greco FA, Krämer A, Wahl L, Elson L, Ehret TAL, Gerninghaus J, et al.
Synthesis and evaluation of chemical linchpins for highly selective CK2α targeting
European Journal of Medicinal Chemistry. 2024; 276: 116672 (22 pp.). https://doi.org/10.1016/j.ejmech.2024.116672
DORA PSI

Hamid R, Walsh DJ, Diamanti E, Aguilar D, Lacour A, Hamed MM, et al.
IspE kinase as an anti-infective target: role of a hydrophobic pocket in inhibitor binding
Structure. 2024; 32(12): 2390-2398.e2. https://doi.org/10.1016/j.str.2024.10.009
DORA PSI

Hazemann J, Kimmerlin T, Lange R, Sweeney AM, Bourquin G, Ritz D, et al.
Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches
RSC Medicinal Chemistry. 2024; 15(6): 2146-2159. https://doi.org/10.1039/d4md00106k
DORA PSI

Heine N, Weber A, Pautsch A, Gottschling D, Uphues I, Bauer M, et al.
Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability
Bioorganic and Medicinal Chemistry Letters. 2024; 112: 129930 (9 pp.). https://doi.org/10.1016/j.bmcl.2024.129930
DORA PSI

Hiller M, Diwo M, Wamp S, Gutsmann T, Lang C, Blankenfeldt W, et al.
Structure–function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA
Molecular Microbiology. 2024; 121(3): 497-512. https://doi.org/10.1111/mmi.15201
DORA PSI

Hupfeld E, Schlee S, Wurm JP, Rajendran C, Yehorova D, Vos E, et al.
Conformational modulation of a mobile loop controls catalysis in the (βα)₈-barrel enzyme of histidine biosynthesis HisF
JACS Au. 2024; 4(8): 3258-3276. https://doi.org/10.1021/jacsau.4c00558
DORA PSI

Jungfer K, Sigg A, Jinek M
Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2
Nucleic Acids Research. 2024; 52(1): 462-473. https://doi.org/10.1093/nar/gkad1102
DORA PSI

Kjeldsen T, Andersen AS, Hubálek F, Johansson E, Kreiner FF, Schluckebier G, et al.
Molecular engineering of insulin for recombinant expression in yeast
Trends in Biotechnology. 2024; 42(4): 464-478. https://doi.org/10.1016/j.tibtech.2023.09.012
DORA PSI

Kuhn BT, Zöller J, Zimmermann I, Gemeinhardt T, Özkul DH, Langer JD, et al.
Interdomain-linkers control conformational transitions in the SLC23 elevator transporter UraA
Nature Communications. 2024; 15(1): 7518 (12 pp.). https://doi.org/10.1038/s41467-024-51814-8
DORA PSI

Lemaire ON, Wegener G, Wagner T
Ethane-oxidising archaea couple CO₂ generation to F₄₂₀ reduction
Nature Communications. 2024; 15(1): 9065 (14 pp.). https://doi.org/10.1038/s41467-024-53338-7
DORA PSI

Lotz-Jenne C, Lange R, Cren S, Bourquin G, Goglia L, Kimmerlin T, et al.
Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2
Scientific Reports. 2024; 14(1): 27937 (12 pp.). https://doi.org/10.1038/s41598-024-78981-4
DORA PSI

Mastria R, Riisnaes KJ, Bacon A, Leontis I, Lam HT, Alshehri MAS, et al.
Real time and highly sensitive sub-wavelength 2D hybrid perovskite photodetectors
Advanced Functional Materials. 2024; 34(36): 2401903 (9 pp.). https://doi.org/10.1002/adfm.202401903
DORA PSI

Meinhold S, Zdanowicz R, Giese C, Glockshuber R
Dimerization of a 5-kDa domain defines the architecture of the 5-MDa gammaproteobacterial pyruvate dehydrogenase complex
Science Advances. 2024; 10(6): eadj6358 (17 pp.). https://doi.org/10.1126/sciadv.adj6358
DORA PSI

Montserrat-Gomez M, Gogl G, Carrasco K, Betzi S, Durbesson F, Cousido-Siah A, et al.
PDZome-wide and structural characterization of the PDZ-binding motif of VANGL2
Biochimica et Biophysica Acta: Proteins and Proteomics. 2024; 1872(3): 140989 (17 pp.). https://doi.org/10.1016/j.bbapap.2023.140989
DORA PSI

Mukherjee M, Day PJ, Laverty D, Bueren-Calabuig JA, Woodhead AJ, Griffiths-Jones C, et al.
Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design
Structure. 2024; 32(8): 1040-1048.e3. https://doi.org/10.1016/j.str.2024.05.011
DORA PSI

Müller MC, Lemaire ON, Kurth JM, Welte CU, Wagner T
Differences in regulation mechanisms of glutamine synthetases from methanogenic archaea unveiled by structural investigations
Communications Biology. 2024; 7(1): 111 (14 pp.). https://doi.org/10.1038/s42003-023-05726-w
DORA PSI

Münzker L, Kimani SW, Fowkes MM, Dong A, Zheng H, Li Y, et al.
A ligand discovery toolbox for the WWE domain family of human E3 ligases
Communications Biology. 2024; 7(1): 901 (15 pp.). https://doi.org/10.1038/s42003-024-06584-w
DORA PSI

Nai F, Flores Espinoza MP, Invernizzi A, Vargas-Rosales PA, Bobileva O, Herok M, et al.
Small-molecule inhibitors of the m7G-RNA writer METTL1
ACS Bio & Med Chem Au. 2024; 4(2): 100-110. https://doi.org/10.1021/acsbiomedchemau.3c00030
DORA PSI

Nalivaiko EY, Vasseur CM, Seebeck FP
Enzyme-catalyzed oxidative degradation of ergothioneine
Angewandte Chemie International Edition. 2024; 63(8): e202318445 (8 pp.). https://doi.org/10.1002/anie.202318445
DORA PSI

Obergfell E, Hohmann U, Moretti A, Chen H, Hothorn M
Mechanistic insights into the function of 14-3-3 proteins as negative regulators of Brassinosteroid signaling in Arabidopsis
Plant and Cell Physiology. 2024; 65(10): 1674-1688. https://doi.org/10.1093/pcp/pcae056
DORA PSI

Palmer N, Agnew C, Benn C, Buffham WJ, Castro JN, Chessari G, et al.
Fragment-based discovery of a series of allosteric-binding site modulators of β-glucocerebrosidase
Journal of Medicinal Chemistry. 2024; 67(13): 11168-11181. https://doi.org/10.1021/acs.jmedchem.4c00702
DORA PSI

Proske M, Janowski R, Bacher S, Kang HS, Monecke T, Koehler T, et al.
PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association
eLife. 2024; 13: RP93561 (27 pp.). https://doi.org/10.7554/eLife.93561
DORA PSI

Rak M, Menge A, Tesch R, Berger LM, Balourdas DI, Shevchenko E, et al.
Development of selective pyrido[2,3-d]pyrimidin-7(8H)-one-based Mammalian STE20-like (MST3/4) kinase inhibitors
Journal of Medicinal Chemistry. 2024; 67(5): 3813-3842. https://doi.org/10.1021/acs.jmedchem.3c02217
DORA PSI

Sommer-Kamann C, Breiltgens J, Zou Z, Gerhardt S, Saleem-Batcha R, Kemper F, et al.
Structures and protein engineering of the α-keto acid C-methyltransferases SgvM and MrsA for rational substrate transfer
ChemBioChem. 2024; 25(19): e202400258 (5 pp.). https://doi.org/10.1002/cbic.202400258
DORA PSI

Tinzl M, Diedrich JV, Mittl PRE, Clémancey M, Reiher M, Proppe J, et al.
Myoglobin-catalyzed azide reduction proceeds via an anionic metal amide intermediate
Journal of the American Chemical Society. 2024; 146(3): 1957-1966. https://doi.org/10.1021/jacs.3c09279
DORA PSI

Vantieghem T, Aslam NA, Osipov EM, Akele M, Van Belle S, Beelen S, et al.
Rational fragment-based design of compounds targeting the PWWP domain of the HRP family
European Journal of Medicinal Chemistry. 2024; 280: 116960 (17 pp.). https://doi.org/10.1016/j.ejmech.2024.116960
DORA PSI

Vasseur CM, Karunasegaram D, Seebeck FP
Structure and substrate specificity of S-methyl thiourocanate hydratase
ACS Chemical Biology. 2024; 19(3): 718-724. https://doi.org/10.1021/acschembio.3c00745
DORA PSI

Vitoria Gomes M, Landwerlin P, Diebold-Durand M-L, Shaik TB, Durand A, Troesch E, et al.
The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains
Cell Reports. 2024; 43(9): 114656 (24 pp.). https://doi.org/10.1016/j.celrep.2024.114656
DORA PSI

Wohlwend D, Mérono L, Bucka S, Ritter K, Jessen HJ, Friedrich T
Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I
Structure. 2024; 32(6): 715-724.e3. https://doi.org/10.1016/j.str.2024.02.013
DORA PSI

Zálešák F, Nai F, Herok M, Bochenkova E, Bedi RK, Li Y, et al.
Structure-based design of a potent and selective YTHDC1 ligand
Journal of Medicinal Chemistry. 2024; 67: 9516-9535. https://doi.org/10.1021/acs.jmedchem.4c00599
DORA PSI

Adam S, Zheng D, Klein A, Volz C, Mullen W, Shirran SL, et al.
Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis
Nature Chemistry. 2023; 15(4): 560-568. https://doi.org/10.1038/s41557-023-01153-w
DORA PSI

Alvarez HA, Cousido-Siah A, Espinosa YR, Podjarny A, Carlevaro CM, Howard E
Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation
Proteins. 2023; 91(11): 1525-1534. https://doi.org/10.1002/prot.26546
DORA PSI

Anso I, Naegeli A, Cifuente JO, Orrantia A, Andersson E, Zenarruzabeitia O, et al.
Turning universal O into rare Bombay type blood
Nature Communications. 2023; 14(1): 1765 (16 pp.). https://doi.org/10.1038/s41467-023-37324-z
DORA PSI

Arifi S, Marschner JA, Pollinger J, Isigkeit L, Heitel P, Kaiser A, et al.
Targeting the alternative vitamin E metabolite binding site enables noncanonical PPARγ modulation
Journal of the American Chemical Society. 2023; 145(27): 14802-14810. https://doi.org/10.1021/jacs.3c03417
DORA PSI

Bashore FM, Marquez AB, Chaikuad A, Howell S, Dunn AS, Beltran AA, et al.
Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis
Scientific Reports. 2023; 13(1): 6118 (17 pp.). https://doi.org/10.1038/s41598-023-32854-4
DORA PSI

Bedi RK, Huang D, Li Y, Caflisch A
Structure-based design of inhibitors of the m⁶A-RNA writer enzyme METTL3
ACS Bio & Med Chem Au. 2023; 3(4): 359-370. https://doi.org/10.1021/acsbiomedchemau.3c00023
DORA PSI

Billiald P, Slater A, Welin M, Clark JC, Loyau S, Pugnière M, et al.
Targeting platelet GPVI with glenzocimab: a novel mechanism for inhibition
Blood Advances. 2023; 7(7): 1258-1268. https://doi.org/10.1182/bloodadvances.2022007863
DORA PSI

Boiarska Z, Pérez-Peña H, Abel A-C, Marzullo P, Álvarez-Bernad B, Bonato F, et al.
Maytansinol functionalization: towards useful probes for studying microtubule dynamics
Chemistry: A European Journal. 2023; 29(5): e202203431 (12 pp.). https://doi.org/10.1002/chem.202203431
DORA PSI

Brkic A, Leibundgut M, Jablonska J, Zanki V, Car Z, Petrovic Perokovic V, et al.
Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif
Nature Communications. 2023; 14(1): 5498 (12 pp.). https://doi.org/10.1038/s41467-023-41244-3
DORA PSI

Bui TYH, De Zitter E, Moeyaert B, Pecqueur L, Srinivasu BY, Economou A, et al.
Oxygen-induced chromophore degradation in the photoswitchable red fluorescent protein rsCherry
International Journal of Biological Macromolecules. 2023; 239: 124179 (9 pp.). https://doi.org/10.1016/j.ijbiomac.2023.124179
DORA PSI

Burnett GL, Yang YC, Aggen JB, Pitzen J, Gliedt MK, Semko CM, et al.
Discovery of RMC-5552, a selective bi-steric inhibitor of mTORC1, for the treatment of mTORC1-activated tumors
Journal of Medicinal Chemistry. 2023; 66(1): 149-169. https://doi.org/10.1021/acs.jmedchem.2c01658
DORA PSI

Busch MR, Rajendran C, Sterner R
Structural and functional characterization of the ureidoacrylate amidohydrolase RutB from Escherichia coli
Biochemistry. 2023; 62(3): 863-872. https://doi.org/10.1021/acs.biochem.2c00640
DORA PSI

Cadoux C, Ratcliff D, Maslać N, Gu W, Tsakoumagkos I, Hoogendoorn S, et al.
Nitrogen fixation and hydrogen evolution by sterically encumbered Mo-nitrogenase
JACS Au. 2023; 3(5): 1521-1533. https://doi.org/10.1021/jacsau.3c00165
DORA PSI

Cadoux C, Maslać N, Di Luzio L, Ratcliff D, Gu W, Wagner T, et al.
The mononuclear metal-binding site of Mo-nitrogenase is not required for activity
JACS Au. 2023; 3(11): 2993-2999. https://doi.org/10.1021/jacsau.3c00567
DORA PSI

Chandra M, Đaković S, Foti K, Zeelen JP, van Straaten M, Aresta-Branco F, et al.
Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome
PLoS Neglected Tropical Diseases. 2023; 17(2): e0011093 (18 pp.). https://doi.org/10.1371/journal.pntd.0011093
DORA PSI

Chmelova K, Gao T, Polak M, Schenkmayerova A, Croll TI, Shaikh TR, et al.
Multimeric structure of a subfamily III haloalkane dehalogenase‐like enzyme solved by combination of cryo‐EM and x‐ray crystallography
Protein Science. 2023; 32(10): e4751 (22 pp.). https://doi.org/10.1002/pro.4751
DORA PSI

Corbeski I, Vargas-Rosales PA, Bedi RK, Deng J, Coelho D, Braud E, et al.
The catalytic mechanism of the RNA methyltransferase METTL3
eLife. 2023; 12: RP92537 (27 pp.). https://doi.org/10.7554/eLife.92537
DORA PSI

De Simone M, Alvigini L, Alonso-Cotchico L, Brissos V, Caroli J, Lucas MF, et al.
Rationally guided improvement of NOV1 dioxygenase for the conversion of lignin-derived isoeugenol to vanillin
Biochemistry. 2023; 62(2): 419-428. https://doi.org/10.1021/acs.biochem.2c00168
DORA PSI

Denkhaus L, Siffert F, Einsle O
An unusual active site architecture in cytochrome c nitrite reductase NrfA-1 from Geobacter metallireducens
FEMS Microbiology Letters. 2023; 370: 1-8. https://doi.org/10.1093/femsle/fnad068
DORA PSI

Dubey BN, Shyp V, Fucile G, Sondermann H, Jenal U, Schirmer T
Mutant structure of metabolic switch protein in complex with monomeric c-di-GMP reveals a potential mechanism of protein-mediated ligand dimerization
Scientific Reports. 2023; 13(1): 2727 (13 pp.). https://doi.org/10.1038/s41598-023-29110-0
DORA PSI

Díaz-Perlas C, Ricken B, Farrera-Soler L, Guschin D, Pojer F, Lau K, et al.
High-affinity peptides developed against calprotectin and their application as synthetic ligands in diagnostic assays
Nature Communications. 2023; 14(1): 2774 (14 pp.). https://doi.org/10.1038/s41467-023-38075-7
DORA PSI

Dürvanger Z, Juhász T, Liliom K, Harmat V
Structures of calmodulin–melittin complexes show multiple binding modes lacking classical anchoring interactions
Journal of Biological Chemistry. 2023; 299(4): 104596 (15 pp.). https://doi.org/10.1016/j.jbc.2023.104596
DORA PSI

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Structural effects of m⁶A modification of the Xist A-repeat AUCG tetraloop and its recognition by YTHDC1
Nucleic Acids Research. 2022; 50(4): 2350-2362. https://doi.org/10.1093/nar/gkac080
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Juroszek R, Krüger B, Marciniak-Maliszewska B, Ternes B
Minerals of the arctite supergroup from the Bellerberg volcano xenoliths, Germany
Mineralogical Magazine. 2022; 86(6): 929-939. https://doi.org/10.1180/mgm.2022.103
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Kaminski JW, Vera L, Stegmann DP, Vering J, Eris D, Smith KML, et al.
Fast fragment- and compound-screening pipeline at the Swiss Light Source
Acta Crystallographica Section D: Structural Biology. 2022; 78: 328-336. https://doi.org/10.1107/S2059798322000705
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Kipnis Y, Chaib AO, Vorobieva AA, Cai G, Reggiano G, Basanta B, et al.
Design and optimization of enzymatic activity in a de novo β-barrel scaffold
Protein Science. 2022; 31(11): e4405 (15 pp.). https://doi.org/10.1002/pro.4405
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Koda Y, Sato S, Yamamoto H, Niwa H, Watanabe H, Watanabe C, et al.
Design and synthesis of tranylcypromine-derived LSD1 inhibitors with improved hERG and microsomal stability profiles
ACS Medicinal Chemistry Letters. 2022; 13(5): 848-854. https://doi.org/10.1021/acsmedchemlett.2c00120
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Konietzny PB, Freytag J, Feldhof MI, Müller JC, Ohl D, Stehle T, et al.
Synthesis of homo- and heteromultivalent fucosylated and sialylated oligosaccharide conjugates via preactivated N-methyloxyamine precision macromolecules and their binding to polyomavirus capsid protein
Biomacromolecules. 2022; 23(12): 5273-5284. https://doi.org/10.1021/acs.biomac.2c01092
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Krämer A, Tjaden A, Ndreshkjana B, Tredup C, Farin HF, Knapp S, et al.
IPP/CNRS-A017: A chemical probe for human dihydroorotate dehydrogenase (hDHODH)
Current Research in Chemical Biology. 2022; 2: 100034 (8 pp.). https://doi.org/10.1016/j.crchbi.2022.100034
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Lambey P, Otun O, Cong X, Hoh F, Brunel L, Verdié P, et al.
Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins
eLife. 2022; 11: e72555 (29 pp.). https://doi.org/10.7554/eLife.72555
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Landskron L, Bak J, Adamopoulos A, Kaplani K, Moraiti M, van den Hengel LG, et al.
Posttranslational modification of microtubules by the MATCAP detyrosinase
Science. 2022; 376(6595): abn6020 (13 pp.). https://doi.org/10.1126/science.abn6020
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Li Y, Bedi RK, Nai F, von Roten V, Dolbois A, Zálešák F, et al.
Structure-based design of ligands of the m⁶A-RNA reader YTHDC1
European Journal of Medicinal Chemistry Reports. 2022; 5: 100057 (11 pp.). https://doi.org/10.1016/j.ejmcr.2022.100057
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Mair S, Erharter K, Renard E, Brillet K, Brunner M, Lusser A, et al.
Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA
Nucleic Acids Research. 2022; 50(11): 6038-6051. https://doi.org/10.1093/nar/gkac477
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Margreiter MA, Witzenberger M, Wasser Y, Davydova E, Janowski R, Metz J, et al.
Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death
Computational and Structural Biotechnology Journal. 2022; 20: 443-458. https://doi.org/10.1016/j.csbj.2021.12.029
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Marineau JJ, Hamman KB, Hu S, Alnemy S, Mihalich J, Kabro A, et al.
Discovery of SY-5609: a selective, noncovalent inhibitor of CDK7
Journal of Medicinal Chemistry. 2022; 65(2): 1458-1480. https://doi.org/10.1021/acs.jmedchem.1c01171
DORA PSI

Marzullo P, Boiarska Z, Pérez-Peña H, Abel AC, Álvarez-Bernad B, Lucena-Agell D, et al.
Maytansinol derivatives: side reactions as a chance for new tubulin binders
Chemistry: A European Journal. 2022; 28(2): e202103520 (10 pp.). https://doi.org/10.1002/chem.202103520
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Maso L, Vascon F, Chinellato M, Goormaghtigh F, Bellio P, Campagnaro E, et al.
Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway
Structure. 2022; 30(11): 1479-1493.e9. https://doi.org/10.1016/j.str.2022.09.004
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Mayo-Muñoz D, Smith LM, Garcia-Doval C, Malone LM, Harding KR, Jackson SA, et al.
Type III CRISPR-Cas provides resistance against nucleus-forming jumbo phages via abortive infection
Molecular Cell. 2022; 82(23): 4471-4486.e9. https://doi.org/10.1016/j.molcel.2022.10.028
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Menna M, Fiorentino F, Marrocco B, Lucidi A, Tomassi S, Cilli D, et al.
Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models
European Journal of Medicinal Chemistry. 2022; 237: 114410 (23 pp.). https://doi.org/10.1016/j.ejmech.2022.114410
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Mertens V, Abi Saad MJ, Coudevylle N, Wälti MA, Finke A, Marsh M, et al.
Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: a straightforward derivation
Journal of Magnetic Resonance Open. 2022; 10-11: 100032 (5 pp.). https://doi.org/10.1016/j.jmro.2022.100032
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Metzner FJ, Huber E, Hopfner K-P, Lammens K
Structural and biochemical characterization of human Schlafen 5
Nucleic Acids Research. 2022; 50(2): 1147-1161. https://doi.org/10.1093/nar/gkab1278
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Miller RD, Iinishi A, Modaresi SM, Yoo B-K, Curtis TD, Lariviere PJ, et al.
Computational identification of a systemic antibiotic for gram-negative bacteria
Nature Microbiology. 2022; 7(10): 1661-1672. https://doi.org/10.1038/s41564-022-01227-4
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Mishra K, Fuenzalida-Werner JP, Pennacchietti F, Janowski R, Chmyrov A, Huang Y, et al.
Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging
Nature Biotechnology. 2022; 40: 598-605. https://doi.org/10.1038/s41587-021-01100-5
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Muckenfuss LM, Migenda Herranz AC, Boneberg FM, Clerici M, Jinek M
Fip1 is a multivalent interaction scaffold for processing factors in human mRNA 3′ end biogenesis
eLife. 2022; 11: e80332 (29 pp.). https://doi.org/10.7554/eLife.80332
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Mühlethaler T, Milanos L, Ortega JA, Blum TB, Gioia D, Roy B, et al.
Rational design of a novel tubulin inhibitor with a unique mechanism of action
Angewandte Chemie International Edition. 2022; 61(25): e202204052 (11 pp.). https://doi.org/10.1002/anie.202204052
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Nai F, Nachawati R, Zálešák F, Wang X, Li Y, Caflisch A
Fragment ligands of the m⁶A-RNA reader YTHDF2
ACS Medicinal Chemistry Letters. 2022; 13(9): 1500-1509. https://doi.org/10.1021/acsmedchemlett.2c00303
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Napolitano V, Dabrowska A, Schorpp K, Mourão A, Barreto-Duran E, Benedyk M, et al.
Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses
Cell Chemical Biology. 2022; 29(5): 774-784.e8. https://doi.org/10.1016/j.chembiol.2021.11.006
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Niwa H, Watanabe C, Sato S, Harada T, Watanabe H, Tabusa R, et al.
Structure-activity relationship and in silico evaluation of cis- and trans-PCPA-derived inhibitors of LSD1 and LSD2
ACS Medicinal Chemistry Letters. 2022; 13(9): 1485-1492. https://doi.org/10.1021/acsmedchemlett.2c00294
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Pacesa M, Loeff L, Querques I, Muckenfuss LM, Sawicka M, Jinek M
R-loop formation and conformational activation mechanisms of Cas9
Nature. 2022; 609: 191-196. https://doi.org/10.1038/s41586-022-05114-0
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Pacesa M, Lin C-H, Cléry A, Saha A, Arantes PR, Bargsten K, et al.
Structural basis for Cas9 off-target activity
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Qiao Z, Kong Q, Tee WT, Lim ARQ, Teo MX, Olieric V, et al.
Molecular basis of the key regulator WRINKLED1 in plant oil biosynthesis
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Qin B, Craven GB, Hou P, Chesti J, Lu X, Child ES, et al.
Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease
Acta Pharmaceutica Sinica B. 2022; 12(10): 3924-3933. https://doi.org/10.1016/j.apsb.2022.06.002
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Ragotte RJ, Pulido D, Lias AM, Quinkert D, Alanine DGW, Jamwal A, et al.
Heterotypic interactions drive antibody synergy against a malaria vaccine candidate
Nature Communications. 2022; 13(1): 933 (12 pp.). https://doi.org/10.1038/s41467-022-28601-4
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Ramanadane K, Straub MS, Dutzler R, Manatschal C
Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family
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Roman A-O, Jimenez-Sandoval P, Augustin S, Broyart C, Hothorn LA, Santiago J
HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides
Nature Communications. 2022; 13(1): 876 (13 pp.). https://doi.org/10.1038/s41467-022-28558-4
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Röhrig UF, Majjigapu SR, Vogel P, Reynaud A, Pojer F, Dilek N, et al.
Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors
Journal of Enzyme Inhibition and Medicinal Chemistry. 2022; 37(1): 1773-1811. https://doi.org/10.1080/14756366.2022.2089665
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Santos MFA, Sciortino G, Correia I, Fernandes ACP, Santos-Silva T, Pisanu F, et al.
Binding of V^IVO²⁺, V^IVOL, V^IVOL₂ and V^VO₂L moieties to proteins: X-ray/theoretical characterization and biological implications
Chemistry: A European Journal. 2022; 28(40): e202200105 (8 pp.). https://doi.org/10.1002/chem.202200105
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Scaletti ER, Gustafsson Westergren R, Andersson Y, Wiita E, Henriksson M, Homan EJ, et al.
The first structure of human MTHFD2L and its implications for the development of isoform-selective inhibitors
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Smith CR, Kulyk S, Ahmad MUD, Arkhipova V, Christensen JG, Gunn RJ, et al.
Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits
RSC Medicinal Chemistry. 2022; 13(12): 1549-1564. https://doi.org/10.1039/d2md00163b
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Stahlecker J, Klett T, Schwer M, Jaag S, Dammann M, Ernst LN, et al.
Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C
RSC Medicinal Chemistry. 2022; 13(12): 1557-1586. https://doi.org/10.1039/d2md00246a
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