Publications

Recent publications are listed below. For an extensive overview we kindly refer you to our publication repository DORA

  • 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
  • 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
  • Corbeski I, Vargas-Rosales PA, Bedi RK, Deng J, Coelho D, Braud E, et al.
    The catalytic mechanism of the RNA methyltransferase METTL3
    eLife. 2024; 12: RP92537 (27 pp.). https://doi.org/10.7554/eLife.92537
    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
  • 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, CaAlFe11O19, a new mineral of the magnetoplumbite group from the Negev Desert, Israel
    Mineralogical Magazine. 2024. 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
  • 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
  • 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
  • Maslać N, Cadoux C, 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
  • 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. 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. 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
  • 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
  • Ober VT, Githure GB, Volpato Santos Y, Becker S, Moya Munoz G, Basquin J, et al.
    Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens
    eLife. 2024; 12: RP91040 (33 pp.). https://doi.org/10.7554/eLife.91040
    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. 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
  • 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
  • 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
  • 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
  • Ebenhoch R, Bauer M, Romig H, Gottschling D, Kley JT, Heine N, et al.
    Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design
    Acta Crystallographica Section D: Structural Biology. 2023; 79(10): 871-880. https://doi.org/10.1107/S2059798323006137
    DORA PSI
  • Eichenberger M, Schwander T, Hüppi S, Kreuzer J, Mittl PRE, Peccati F, et al.
    The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis
    Nature Catalysis. 2023; 6(10): 927-938. https://doi.org/10.1038/s41929-023-01018-y
    DORA PSI
  • Emmert S, Quargnali G, Thallmair S, Rivera-Fuentes P
    A locally activatable sensor for robust quantification of organellar glutathione
    Nature Chemistry. 2023; 15: 1415-1421. https://doi.org/10.1038/s41557-023-01249-3
    DORA PSI
  • Engrola F, Correia MAS, Watson C, Romão CC, Veiros LF, Romão MJ, et al.
    Arsenite oxidase in complex with antimonite and arsenite oxyanions: insights into the catalytic mechanism
    Journal of Biological Chemistry. 2023; 299(8): 105036 (9 pp.). https://doi.org/10.1016/j.jbc.2023.105036
    DORA PSI
  • Estiri H, Bhattacharya S, Buitrago JAR, Castagna R, Legzdiņa L, Casucci G, et al.
    Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition
    Scientific Reports. 2023; 13(1): 18610 (12 pp.). https://doi.org/10.1038/s41598-023-45428-1
    DORA PSI
  • Estévez-Gallego J, Álvarez-Bernad B, Pera B, Wullschleger C, Raes O, Menche D, et al.
    Chemical modulation of microtubule structure through the laulimalide/peloruside site
    Structure. 2023; 31(1): 88-99.e5. https://doi.org/10.1016/j.str.2022.11.006
    DORA PSI
  • Farnung J, Muhar M, Liang JR, Tolmachova KA, Benoit RM, Corn JE, et al.
    Semisynthetic LC3 probes for autophagy pathways reveal a noncanonical LC3 interacting region motif crucial for the enzymatic activity of human ATG3
    ACS Central Science. 2023; 9(5): 1025-1034. https://doi.org/10.1021/acscentsci.3c00009
    DORA PSI
  • Gkeka A, Aresta-Branco F, Triller G, Vlachou EP, van Straaten M, Lilic M, et al.
    Immunodominant surface epitopes power immune evasion in the African trypanosome
    Cell Reports. 2023; 42(3): 112262 (21 pp.). https://doi.org/10.1016/j.celrep.2023.112262
    DORA PSI
  • Glögl M, Friedrich N, Cerutti G, Lemmin T, Kwon YD, Gorman J, et al.
    Trapping the HIV-1 V3 loop in a helical conformation enables broad neutralization
    Nature Structural and Molecular Biology. 2023; 30: 1323-1336. https://doi.org/10.1038/s41594-023-01062-z
    DORA PSI
  • Greisen PJ, Yi L, Zhou R, Zhou J, Johansson E, Dong T, et al.
    Computational design of N‐linked glycans for high throughput epitope profiling
    Protein Science. 2023; 32(10): e4726 (11 pp.). https://doi.org/10.1002/pro.4726
    DORA PSI
  • Guo Y, Du X, Krusche J, Beck C, Ali S, Walter A, et al.
    Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition
    Science Advances. 2023; 9(47): eadj2641 (15 pp.). https://doi.org/10.1126/sciadv.adj2641
    DORA PSI
  • Guo Y, Alvigini L, Saifuddin M, Ashley B, Trajkovic M, Alonso-Cotchico L, et al.
    One-pot biocatalytic synthesis of rac-syringaresinol from a lignin-derived phenol
    ACS Catalysis. 2023; 13(22): 14639-14649. https://doi.org/10.1021/acscatal.3c04399
    DORA PSI
  • Hamed MM, Abdelsamie AS, Rox K, Schütz C, Kany AM, Röhrig T, et al.
    Towards translation of PqsR inverse agonists: from in vitro efficacy optimization to In vivo proof-of-principle
    Advanced Science. 2023; 10(5): 2204443 (14 pp.). https://doi.org/10.1002/advs.202204443
    DORA PSI
  • Hamid R, Adam S, Lacour A, Monjas L, Köhnke J, Hirsch AKH
    1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding
    Journal of Biological Chemistry. 2023; 299(9): 105152 (11 pp.). https://doi.org/10.1016/j.jbc.2023.105152
    DORA PSI
  • Hasyeoui M, Lassagne F, Erb W, Nael M, Elokely KM, Chaikuad A, et al.
    Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3α (GSK-3α): Development and impact on temozolomide treatment of glioblastoma cells
    Bioorganic Chemistry. 2023; 134: 106456 (18 pp.). https://doi.org/10.1016/j.bioorg.2023.106456
    DORA PSI
  • Igareta NV, Tachibana R, Spiess DC, Peterson RL, Ward TR
    Spiers memorial lecture: shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation
    Faraday Discussions. 2023; 244: 9-20. https://doi.org/10.1039/d3fd00034f
    DORA PSI
  • Isaikina P, Petrovic I, Jakob RP, Sarma P, Ranjan A, Baruah M, et al.
    A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes
    Molecular Cell. 2023; 83(12): 2108-2121.e7. https://doi.org/10.1016/j.molcel.2023.05.002
    DORA PSI
  • Jespersen M, Wagner T
    Assimilatory sulfate reduction in the marine methanogen Methanothermococcus thermolithotrophicus
    Nature Microbiology. 2023; 8(7): 1227-1239. https://doi.org/10.1038/s41564-023-01398-8
    DORA PSI
  • Jespersen M, Pierik AJ, Wagner T
    Structures of the sulfite detoxifying F420-dependent enzyme from Methanococcales
    Nature Chemical Biology. 2023; 19: 695-702. https://doi.org/10.1038/s41589-022-01232-y
    DORA PSI
  • Juroszek R, Galuskina I, Krüger B, Krüger H, Vapnik Y, Kahlenberg V, et al.
    Minerals with a palmierite-type structure. Part I. Mazorite Ba3(PO4)2, a new mineral from the Hatrurim Complex in Israel
    Mineralogical Magazine. 2023; 87(5): 679-689. https://doi.org/10.1180/mgm.2023.57
    DORA PSI
  • Kirchgäßner S, Braun MB, Bartlick N, Koç C, Reinkemeier CD, Lemke EA, et al.
    Synthesis, biochemical characterization, and genetic encoding of a 1,2,4-triazole amino acid as an acetyllysine mimic for bromodomains of the BET Family
    Angewandte Chemie International Edition. 2023; 62(12): e202215460 (7 pp.). https://doi.org/10.1002/anie.202215460
    DORA PSI
  • Krüger B, Galuskina IO, Galuskin EV, Vapnik Y, Murashko MN
    Khurayyimite Ca7Zn4(Si2O7)2(OH)10·4H2O: a mineral with unusual loop-branched sechser single chains
    Mineralogy and Petrology. 2023; 117(2): 191-200. https://doi.org/10.1007/s00710-022-00804-z
    DORA PSI
  • Lemaire ON, Belhamri M, Wagner T
    Structural and biochemical elucidation of class I hybrid cluster protein natively extracted from a marine methanogenic archaeon
    Frontiers in Microbiology. 2023; 14: 1179204 (16 pp.). https://doi.org/10.3389/fmicb.2023.1179204
    DORA PSI
  • Lenza MP, Egia-Mendikute L, Antoñana-Vildosola A, Soares CO, Coelho H, Corzana F, et al.
    Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b
    Nature Communications. 2023; 14(1): 3496 (14 pp.). https://doi.org/10.1038/s41467-023-39119-8
    DORA PSI
  • Lenza MP, Atxabal U, Nycholat C, Oyenarte I, Franconetti A, Quintana JI, et al.
    Structures of the inhibitory receptor siglec-8 in complex with a high-affinity sialoside analogue and a therapeutic antibody
    JACS Au. 2023; 3(1): 204-215. https://doi.org/10.1021/jacsau.2c00592
    DORA PSI
  • Maurer SK, Mayer MP, Ward SJ, Boudjema S, Halawa M, Zhang J, et al.
    Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity
    Journal of Biological Chemistry. 2023; 299(11): 105300 (15 pp.). https://doi.org/10.1016/j.jbc.2023.105300
    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. 2023; 4(2): 100-110. https://doi.org/10.1021/acsbiomedchemau.3c00030
    DORA PSI
  • Nemergut M, Marques SM, Uhrik L, Vanova T, Nezvedova M, Gadara DC, et al.
    Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer’s disease drug candidate
    Molecular Neurodegeneration. 2023; 18(1): 38 (25 pp.). https://doi.org/10.1186/s13024-023-00620-9
    DORA PSI
  • Nóbrega CS, Carvalho AL, Romão MJ, Pauleta SR
    Structural characterization of Neisseria gonorrhoeae bacterial peroxidase-insights into the catalytic cycle of bacterial peroxidases
    International Journal of Molecular Sciences. 2023; 24(7): 6246 (21 pp.). https://doi.org/10.3390/ijms24076246
    DORA PSI
  • Němec V, Khirsariya P, Janovská P, Moyano PM, Maier L, Procházková P, et al.
    Discovery of potent and exquisitely selective inhibitors of kinase CK1 with tunable isoform selectivity
    Angewandte Chemie International Edition. 2023; 62(11): e202217532 (7 pp.). https://doi.org/10.1002/anie.202217532
    DORA PSI
  • Personne H, Paschoud T, Fulgencio S, Baeriswyl S, Köhler T, van Delden C, et al.
    To fold or not to fold: diastereomeric optimization of an α-helical antimicrobial peptide
    Journal of Medicinal Chemistry. 2023; 66(11): 7570-7583. https://doi.org/10.1021/acs.jmedchem.3c00460
    DORA PSI
  • Prota AE, Lucena-Agell D, Ma Y, Estevez-Gallego J, Li S, Bargsten K, et al.
    Structural insight into the stabilization of microtubules by taxanes
    eLife. 2023; 12: e84791 (35 pp.). https://doi.org/10.7554/elife.84791
    DORA PSI
  • Qin B, Li Z, Tang K, Wang T, Xie Y, Aumonier S, et al.
    Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target
    Nature Communications. 2023; 14(1): 3999 (13 pp.). https://doi.org/10.1038/s41467-023-39709-6
    DORA PSI
  • Racle J, Guillaume P, Schmidt J, Michaux J, Larabi A, Lau K, et al.
    Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes
    Immunity. 2023; 56(6): 1359-1375.e13. https://doi.org/10.1016/j.immuni.2023.03.009
    DORA PSI
  • Rahimova R, Nogaret P, Huteau V, Gelin M, Clément DA, Labesse G, et al.
    Structure-based design, synthesis and biological evaluation of a NAD+ analogue targeting Pseudomonas aeruginosa NAD kinase
    FEBS Journal. 2023; 290(2): 482-501. https://doi.org/10.1111/febs.16604
    DORA PSI
  • Rodriguez I, Kocik-Krol J, Skalniak L, Musielak B, Wisniewska A, Ciesiołkiewicz A, et al.
    Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies
    Molecular Cancer. 2023; 22(1): 150 (8 pp.). https://doi.org/10.1186/s12943-023-01853-4
    DORA PSI
  • Sahoo PK, Sheenu, Jain D
    REC domain stabilizes the active heptamer of σ54-dependent transcription factor, FleR from Pseudomonas aeruginosa
    iScience. 2023; 26(12): 108397 (20 pp.). https://doi.org/10.1016/j.isci.2023.108397
    DORA PSI
  • Sahu S, Ekundayo BE, Kumar A, Bleichert F
    A dual role for the chromatin reader ORCA/LRWD1 in targeting the origin recognition complex to chromatin
    EMBO Journal. 2023; 42(18): e114654 (24 pp.). https://doi.org/10.15252/embj.2023114654
    DORA PSI
  • Salgado-Polo F, Borza R, Matsoukas M-T, Marsais F, Jagerschmidt C, Waeckel L, et al.
    Autotaxin facilitates selective LPA receptor signaling
    Cell Chemical Biology. 2023; 30(1): 69-84.e14. https://doi.org/10.1016/j.chembiol.2022.12.006
    DORA PSI
  • Schenkmayerova A, Toul M, Pluskal D, Baatallah R, Gagnot G, Pinto GP, et al.
    Catalytic mechanism for Renilla-type luciferases
    Nature Catalysis. 2023; 6(1): 23-38. https://doi.org/10.1038/s41929-022-00895-z
    DORA PSI
  • Schwalm MP, Krämer A, Dölle A, Weckesser J, Yu X, Jin J, et al.
    Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization
    Cell Chemical Biology. 2023; 30(7): 753-765.e8. https://doi.org/10.1016/j.chembiol.2023.06.002
    DORA PSI
  • Smith KML, Panepucci E, Kaminski JW, Aumonier S, Huang C-Y, Eris D, et al.
    SDU - software for high-throughput automated data collection at the Swiss Light Source
    Journal of Synchrotron Radiation. 2023; 30: 538-545. https://doi.org/10.1107/S1600577523002631
    DORA PSI
  • Snajdarova K, Marques SM, Damborsky J, Bednar D, Marek M
    Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum
    Acta Crystallographica Section D: Structural Biology. 2023; 79(Pt 11): 956-970. https://doi.org/10.1107/S2059798323006642
    DORA PSI
  • Sorin MN, Di Maio A, Silva LM, Ebert D, Delannoy CP, Nguyen N-K, et al.
    Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus
    Cell Reports. 2023; 42(2): 112114 (18 pp.). https://doi.org/10.1016/j.celrep.2023.112114
    DORA PSI
  • Stasiak AC, Gogler K, Borisova M, Fink P, Mayer C, Stehle T, et al.
    N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia
    Journal of Biological Chemistry. 2023; 299(9): 105076 (13 pp.). https://doi.org/10.1016/j.jbc.2023.105076
    DORA PSI
  • Stegmann DP, Steuber J, Fritz G, Wojdyla JA, Sharpe ME
    Fast fragment and compound screening pipeline at the Swiss Light Source
    In: Methods in enzymology. sine loco: Elsevier; 2023:235-284. https://doi.org/10.1016/bs.mie.2023.08.005
    DORA PSI
  • Takase S, Hiroyama T, Shirai F, Maemoto Y, Nakata A, Arata M, et al.
    A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression
    Nature Communications. 2023; 14(1): 23 (18 pp.). https://doi.org/10.1038/s41467-022-35404-0
    DORA PSI
  • Taylor G, Cui H, Leodolter J, Giese C, Weber-Ban E
    ClpC2 protects mycobacteria against a natural antibiotic targeting ClpC1-dependent protein degradation
    Communications Biology. 2023; 6(1): 301 (13 pp.). https://doi.org/10.1038/s42003-023-04658-9
    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. 2023; 146(3): 1957-1966. https://doi.org/10.1021/jacs.3c09279
    DORA PSI
  • Triller G, Vlachou EP, Hashemi H, van Straaten M, Zeelen JP, Kelemen Y, et al.
    A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl
    Cell Reports. 2023; 42(2): 112049 (27 pp.). https://doi.org/10.1016/j.celrep.2023.112049
    DORA PSI
  • Trncik C, Detemple F, Einsle O
    Iron-only Fe-nitrogenase underscores common catalytic principles in biological nitrogen fixation
    Nature Catalysis. 2023; 6(5): 415-424. https://doi.org/10.1038/s41929-023-00952-1
    DORA PSI
  • Vasseur CM, Karunasegaram D, Seebeck FP
    Structure and substrate specificity of S-methyl thiourocanate hydratase
    ACS Chemical Biology. 2023; 19(3): 718-724. https://doi.org/10.1021/acschembio.3c00745
    DORA PSI
  • Wang W, Tachibana R, Zou Z, Chen D, Zhang X, Lau K, et al.
    Manganese transfer hydrogenases based on the biotin-streptavidin technology
    Angewandte Chemie International Edition. 2023; 62(43): e202311896 (8 pp.). https://doi.org/10.1002/anie.202311896
    DORA PSI
  • Wirtz DA, Schneberger N, Klöppel S, Richarz R, Geyer M, König GM, et al.
    Adenylation domain-guided recruitment of trans-acting nonheme monooxygenases in nonribosomal peptide biosynthesis
    ACS Chemical Biology. 2023; 18: 1748-1759. https://doi.org/10.1021/acschembio.3c00106
    DORA PSI
  • Đaković S, Zeelen JP, Gkeka A, Chandra M, van Straaten M, Foti K, et al.
    A structural classification of the variant surface glycoproteins of the African trypanosome
    PLoS Neglected Tropical Diseases. 2023; 17(9): e0011621 (26 pp.). https://doi.org/10.1371/journal.pntd.0011621
    DORA PSI
  • Abiko LA, Dias Teixeira R, Engilberge S, Grahl A, Mühlethaler T, Sharpe T, et al.
    Filling of a water-free void explains the allosteric regulation of the β1-adrenergic receptor by cholesterol
    Nature Chemistry. 2022; 14: 1133-1141. https://doi.org/10.1038/s41557-022-01009-9
    DORA PSI
  • Alsarraf HMAB, Ung KL, Johansen MD, Dimon J, Olieric V, Kremer L, et al.
    Biochemical, structural, and functional studies reveal that MAB_4324c from Mycobacterium abscessus is an active tandem repeat N‐acetyltransferase
    FEBS Letters. 2022; 596(12): 1516-1532. https://doi.org/10.1002/1873-3468.14360
    DORA PSI
  • Bereiter R, Renard E, Breuker K, Kreutz C, Ennifar E, Micura R
    1-deazaguanosine-modified RNA: the missing piece for functional RNA atomic mutagenesis
    Journal of the American Chemical Society. 2022; 144(23): 10344-10352. https://doi.org/10.1021/jacs.2c01877
    DORA PSI
  • Biebl MM, Delhommel F, Faust O, Zak KM, Agam G, Guo X, et al.
    NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems
    Molecular Cell. 2022; 82(3): 555-569.e7. https://doi.org/10.1016/j.molcel.2021.12.031
    DORA PSI
  • Bleuler-Martinez S, Varrot A, Olieric V, Schubert M, Vogt E, Fetz C, et al.
    Structure–function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity
    Glycobiology. 2022; 32(7): 600-615. https://doi.org/10.1093/glycob/cwac020
    DORA PSI
  • Bobrovs R, Basens EE, Drunka L, Kanepe I, Matisone S, Velins KK, et al.
    Exploring aspartic protease inhibitor binding to design selective antimalarials
    Journal of Chemical Information and Modeling. 2022; 62(13): 3263-3273. https://doi.org/10.1021/acs.jcim.2c00422
    DORA PSI
  • Bröker J, Waterson AG, Smethurst C, Kessler D, Böttcher J, Mayer M, et al.
    Fragment optimization of reversible binding to the switch II pocket on KRAS leads to a potent, in vivo active KRASG12C inhibitor
    Journal of Medicinal Chemistry. 2022; 65(21): 14614-14629. https://doi.org/10.1021/acs.jmedchem.2c01120
    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. 2022; 66(1): 149-169. https://doi.org/10.1021/acs.jmedchem.2c01658
    DORA PSI
  • Camus A, Truong G, Mittl PRE, Markert G, Hilvert D
    Reprogramming nonribosomal peptide synthetases for site-specific insertion of α-hydroxy acids
    Journal of the American Chemical Society. 2022; 144(38): 17567-17575. https://doi.org/10.1021/jacs.2c07013
    DORA PSI
  • Chaikuad A, Zhubi R, Tredup C, Knapp S
    Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family
    IUCrJ. 2022; 9(6): 720-727. https://doi.org/10.1107/S2052252522008582
    DORA PSI
  • Chen P, Wojdyla JA, Colasanti O, Li Z, Qin B, Wang M, et al.
    Biochemical and structural characterization of hepatitis A virus 2C reveals an unusual ribonuclease activity on single-stranded RNA
    Nucleic Acids Research. 2022; 50(16): 9470-9489. https://doi.org/10.1093/nar/gkac671
    DORA PSI
  • Clark JM, Salgado-Polo F, Macdonald SJF, Barrett TN, Perrakis A, Jamieson C
    Structure-based design of a novel class of autotaxin inhibitors based on endogenous allosteric modulators
    Journal of Medicinal Chemistry. 2022; 65(8): 6338-6351. https://doi.org/10.1021/acs.jmedchem.2c00368
    DORA PSI
  • Collu G, Bierig T, Krebs A-S, Engilberge S, Varma N, Guixà-González R, et al.
    Chimeric single α-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology
    Structure. 2022; 30(1): 95-106. https://doi.org/10.1016/j.str.2021.09.002
    DORA PSI
  • Conchou L, Doumèche B, Galisson F, Violot S, Dugelay C, Diesis E, et al.
    Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium
    Communications Biology. 2022; 5(1): 1158 (13 pp.). https://doi.org/10.1038/s42003-022-04091-4
    DORA PSI
  • Cousido-Siah A, Carneiro L, Kostmann C, Ecsedi P, Nyitray L, Trave G, et al.
    A scalable strategy to solve structures of PDZ domains and their complexes
    Acta Crystallographica Section D: Structural Biology. 2022; 78: 509-516. https://doi.org/10.1107/S2059798322001784
    DORA PSI
  • Cullati SN, Chaikuad A, Chen J-S, Gebel J, Tesmer L, Zhubi R, et al.
    Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes
    Molecular Cell. 2022; 82(11): 2006-2020.e8. https://doi.org/10.1016/j.molcel.2022.03.005
    DORA PSI
  • Dammann M, Stahlecker J, Zimmermann MO, Klett T, Rotzinger K, Kramer M, et al.
    Screening of a Halogen-Enriched Fragment Library leads to unconventional binding modes
    Journal of Medicinal Chemistry. 2022; 65(21): 14539-14552. https://doi.org/10.1021/acs.jmedchem.2c00951
    DORA PSI
  • De Vries T, Martelly W, Campagne S, Sabath K, Sarnowski CP, Wong J, et al.
    Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2022; 119(6): e2114092119 (11 pp.). https://doi.org/10.1073/pnas.2114092119
    DORA PSI
  • Ekström F, Gottinger A, Forsgren N, Catto M, Iacovino LG, Pisani L, et al.
    Dual reversible coumarin inhibitors mutually bound to monoamine oxidase B and acetylcholinesterase crystal structures
    ACS Medicinal Chemistry Letters. 2022; 13(3): 499-506. https://doi.org/10.1021/acsmedchemlett.2c00001
    DORA PSI
  • Fraley AE, Dieterich CL, Mabesoone MFJ, Minas HA, Meoded RA, Hemmerling F, et al.
    Structure of a promiscuous thioesterase domain responsible for branching acylation in polyketide biosynthesis
    Angewandte Chemie International Edition. 2022; 61(39): e202206385 (9 pp.). https://doi.org/10.1002/anie.202206385
    DORA PSI
  • Fruergaard MU, Dach I, Andersen JL, Ozol M, Shahsavar A, Quistgaard EM, et al.
    The Na+,K+-ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state
    Journal of Biological Chemistry. 2022; 298(9): 102317 (12 pp.). https://doi.org/10.1016/j.jbc.2022.102317
    DORA PSI
  • Galazzo L, Meier G, Januliene D, Parey K, De Vecchis D, Striednig B, et al.
    The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells
    Science Advances. 2022; 8(41): eabn6845 (14 pp.). https://doi.org/10.1126/sciadv.abn6845
    DORA PSI
  • García-Alija M, Du JJ, Ordóñez I, Diz-Vallenilla A, Moraleda-Montoya A, Sultana N, et al.
    Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE
    Nature Communications. 2022; 13(1): 1137 (17 pp.). https://doi.org/10.1038/s41467-022-28722-w
    DORA PSI
  • Gogl G, Zambo B, Kostmann C, Cousido-Siah A, Morlet B, Durbesson F, et al.
    Quantitative fragmentomics allow affinity mapping of interactomes
    Nature Communications. 2022; 13(1): 5472 (18 pp.). https://doi.org/10.1038/s41467-022-33018-0
    DORA PSI
  • Hermanns T, Pichlo C, Baumann U, Hofmann K
    A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family
    Nature Communications. 2022; 13(1): 401 (14 pp.). https://doi.org/10.1038/s41467-022-28049-6
    DORA PSI
  • Herzog D, Jansen J, Mißun M, Diederichs K, Stengel F, Marx A
    Chemical proteomics of the tumor suppressor fhit covalently bound to the cofactor Ap3A elucidates its inhibitory action on translation
    Journal of the American Chemical Society. 2022; 144(19): 8613-8623. https://doi.org/10.1021/jacs.2c00815
    DORA PSI
  • Iacovino LG, Rossi M, Di Stefano G, Rossi V, Binda C, Brigotti M, et al.
    Allosteric transitions of rabbit skeletal muscle lactate dehydrogenase induced by pH-dependent dissociation of the tetrameric enzyme
    Biochimie. 2022; 199: 23-35. https://doi.org/10.1016/j.biochi.2022.03.008
    DORA PSI
  • Iijima D, Sugama H, Takahashi Y, Hirai M, Togashi Y, Xie J, et al.
    Discovery of SPH3127: a novel, highly potent, and orally active direct renin inhibitor
    Journal of Medicinal Chemistry. 2022; 65(16): 10882-10897. https://doi.org/10.1021/acs.jmedchem.2c00834
    DORA PSI
  • Jones AN, Tikhaia E, Mourão A, Sattler M
    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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Pacesa M, Lin C-H, Cléry A, Saha A, Arantes PR, Bargsten K, et al.
    Structural basis for Cas9 off-target activity
    Cell. 2022; 185(22): 4067-4081.e21. https://doi.org/10.1016/j.cell.2022.09.026
    DORA PSI
  • 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
    Science Advances. 2022; 8(34): eabq1211 (10 pp.). https://doi.org/10.1126/sciadv.abq1211
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Ramanadane K, Straub MS, Dutzler R, Manatschal C
    Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family
    eLife. 2022; 11: e74589 (29 pp.). https://doi.org/10.7554/eLife.74589
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Santos MFA, Sciortino G, Correia I, Fernandes ACP, Santos-Silva T, Pisanu F, et al.
    Binding of VIVO2+, VIVOL, VIVOL2 and VVO2L 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
    DORA PSI
  • 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
    ChemMedChem. 2022; 17(18): e202200274 (10 pp.). https://doi.org/10.1002/cmdc.202200274
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Tan YB, Lello L S, Liu X, Law Y-S, Kang C, Lescar J, et al.
    Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold
    Nucleic Acids Research. 2022; 50(2): 1000-1016. https://doi.org/10.1093/nar/gkab1302
    DORA PSI
  • Tittes YU, Herbst DA, Martin SFX, Munoz-Hernandez H, Jakob RP, Maier T
    The structure of a polyketide synthase bimodule core
    Science Advances. 2022; 8(38): eabo6918 (9 pp.). https://doi.org/10.1126/sciadv.abo6918
    DORA PSI
  • Veggi D, Malito E, Lo Surdo P, Pansegrau W, Rippa V, Wahome N, et al.
    Structural characterization of a cross-protective natural chimera of factor H binding protein from meningococcal serogroup B strain NL096
    Computational and Structural Biotechnology Journal. 2022; 20: 2070-2081. https://doi.org/10.1016/j.csbj.2022.04.011
    DORA PSI
  • Voss M, Hüppi S, Schaub D, Hayashi T, Ligibel M, Sager E, et al.
    Enzyme engineering enables inversion of substrate stereopreference of the halogenase WelO5*
    ChemCatChem. 2022; 14(24): e202201115 (7 pp.). https://doi.org/10.1002/cctc.202201115
    DORA PSI
  • Walvekar VA, Ramesh K, Jobichen C, Kannan M, Sivaraman J, Kini RM, et al.
    Crystal structure of Aedes aegypti trypsin inhibitor in complex with μ-plasmin reveals role for scaffold stability in Kazal-type serine protease inhibitor
    Protein Science. 2022; 31(2): 470-484. https://doi.org/10.1002/pro.4245
    DORA PSI
  • Wang L, Moreira EA, Kempf G, Miyake Y, Oliveira Esteves BI, Fahmi A, et al.
    Disrupting the HDAC6-ubiquitin interaction impairs infection by influenza and Zika virus and cellular stress pathways
    Cell Reports. 2022; 39(4): 110736 (20 pp.). https://doi.org/10.1016/j.celrep.2022.110736
    DORA PSI
  • Zeinyeh W, Esvan YJ, Josselin B, Defois M, Baratte B, Knapp S, et al.
    Synthesis and biological evaluation of Haspin inhibitors: Kinase inhibitory potency and cellular activity
    European Journal of Medicinal Chemistry. 2022; 236: 114369 (11 pp.). https://doi.org/10.1016/j.ejmech.2022.114369
    DORA PSI
  • Zetterberg FR, MacKinnon A, Brimert T, Gravelle L, Johnsson RE, Kahl-Knutson B, et al.
    Discovery and optimization of the first highly effective and orally available galectin-3 inhibitors for treatment of fibrotic disease
    Journal of Medicinal Chemistry. 2022; 65(19): 12626-12638. https://doi.org/10.1021/acs.jmedchem.2c00660
    DORA PSI
  • Zhang C, Yang F, Wojdyla JA, Qin B, Zhang W, Zheng M, et al.
    An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein
    Cell Reports. 2022; 40(1): 111030 (21 pp.). https://doi.org/10.1016/j.celrep.2022.111030
    DORA PSI
  • de la Roche NM, Mühlethaler T, Di Martino RMC, Ortega JA, Gioia D, Roy B, et al.
    Novel fragment-derived colchicine-site binders as microtubule-destabilizing agents
    European Journal of Medicinal Chemistry. 2022; 241: 114614 (12 pp.). https://doi.org/10.1016/j.ejmech.2022.114614
    DORA PSI
  • Abraham ET, Oecal S, Mörgelin M, Schmid PWN, Buchner J, Baumann U, et al.
    Collagen's primary structure determines collagen:HSP47 complex stoichiometry
    Journal of Biological Chemistry. 2021; 297(6): 101169 (13 pp.). https://doi.org/10.1016/j.jbc.2021.101169
    DORA PSI
  • Abrami L, Audagnotto M, Ho S, Marcaida MJ, Mesquita FS, Anwar MU, et al.
    Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains
    Nature Chemical Biology. 2021; 17(4): 438-447. https://doi.org/10.1038/s41589-021-00753-2
    DORA PSI
  • Adhireksan Z, Sharma D, Lee PL, Bao Q, Padavattan S, Shum WK, et al.
    Engineering nucleosomes for generating diverse chromatin assemblies
    Nucleic Acids Research. 2021; 49(9): E52 (12 pp.). https://doi.org/10.1093/nar/gkab070
    DORA PSI
  • Aeschimann W, Kammer S, Staats S, Schneider P, Schneider G, Rimbach G, et al.
    Engineering of a functional γ-tocopherol transfer protein
    Redox Biology. 2021; 38: 101773 (11 pp.). https://doi.org/10.1016/j.redox.2020.101773
    DORA PSI
  • Alali A, Zhang L, Li J, Zuo C, Wassouf D, Yan X, et al.
    Biosynthesis of the tricyclic aromatic type II polyketide rishirilide: new potential third ring oxygenation after three cyclization steps
    Molecular Biotechnology. 2021; 23: 502-514. https://doi.org/10.1007/s12033-021-00314-x
    DORA PSI
  • Alvigini L, Gran-Scheuch A, Guo Y, Trajkovic M, Saifuddin M, Fraaije MW, et al.
    Discovery, biocatalytic exploration and structural analysis of a 4-ethylphenol oxidase from Gulosibacter chungangensis
    ChemBioChem. 2021; 22(22): 3225-3233. https://doi.org/10.1002/cbic.202100457
    DORA PSI
  • Axer A, Jumde RP, Adam S, Faust A, Schäfers M, Fobker M, et al.
    Enhancing glycan stability via site-selective fluorination: modulating substrate orientation by molecular design
    Chemical Science. 2021; 12(4): 1286-1294. https://doi.org/10.1039/D0SC04297H
    DORA PSI
  • Baeriswyl S, Personne H, Di Bonaventura I, Köhler T, Van Delden C, Stocker A, et al.
    A mixed chirality α-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography
    RSC Chemical Biology. 2021; 2(6): 1608-1617. https://doi.org/10.1039/d1cb00124h
    DORA PSI
  • Bailleul G, Nicoll CR, Mascotti ML, Mattevi A, Fraaije MW
    Ancestral reconstruction of mammalian FMO1 enables structural determination, revealing unique features that explain its catalytic properties
    Journal of Biological Chemistry. 2021; 296: 100221 (13 pp.). https://doi.org/10.1074/jbc.RA120.016297
    DORA PSI
  • Banaś AM, Bocian-Ostrzycka KM, Dunin-Horkawicz S, Ludwiczak J, Wilk P, Orlikowska M, et al.
    Interplay between DsbA1, DsbA2 and C8J_1298 periplasmic oxidoreductases of Campylobacter jejuni and their impact on bacterial physiology and pathogenesis
    International Journal of Molecular Sciences. 2021; 22(24): 13451 (37 pp.). https://doi.org/10.3390/ijms222413451
    DORA PSI
  • Basler S, Studer S, Zou Y, Mori T, Ota Y, Camus A, et al.
    Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold
    Nature Chemistry. 2021; 13(3): 231-235. https://doi.org/10.1038/s41557-020-00628-4
    DORA PSI
  • Bauer V, Schmidtgall B, Gógl G, Dolenc J, Osz J, Nominé Y, et al.
    Conformational editing of intrinsically disordered protein by α-methylation
    Chemical Science. 2021; 12(3): 1080-1089. https://doi.org/10.1039/D0SC04482B
    DORA PSI
  • Brullo C, Rapetti F, Abbate S, Prosdocimi T, Torretta A, Semrau M, et al.
    Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors
    European Journal of Medicinal Chemistry. 2021; 223: 113638 (13 pp.). https://doi.org/10.1016/j.ejmech.2021.113638
    DORA PSI
  • Böhringer N, Green R, Liu Y, Mettal U, Marner M, Modaresi SM, et al.
    Mutasynthetic production and antimicrobial characterization of darobactin analogs
    Microbiology Spectrum. 2021; 9(3): e01535 (14 pp.). https://doi.org/10.1128/SPECTRUM.01535-21
    DORA PSI
  • Chaoprasid P, Lukat P, Mühlen S, Heidler T, Gazdag E-M, Dong S, et al.
    Crystal structure of bacterial cytotoxic necrotizing factor CNFY reveals molecular building blocks for intoxication
    EMBO Journal. 2021; 40(4): e105202 (21 pp.). https://doi.org/10.15252/embj.2020105202
    DORA PSI
  • Conrady MC, Suarez I, Gogl G, Frecot DI, Bonhoure A, Kostmann C, et al.
    Structure of high-risk papillomavirus 31 E6 oncogenic protein and characterization of E6/E6AP/p53 complex formation
    Journal of Virology. 2021; 95(2): e00730-20 (15 pp.). https://doi.org/10.1128/JVI.00730-20
    DORA PSI
  • De Zitter E, Hugelier S, Duwé S, Vandenberg W, Tebo AG, Van Meervelt L, et al.
    Structure–function dataset reveals environment effects within a fluorescent protein model system
    Angewandte Chemie International Edition. 2021; 60(18): 10073-10081. https://doi.org/10.1002/anie.202015201
    DORA PSI
  • DeSelm L, Huck B, Lan R, Neagu C, Potnick J, Xiao Y, et al.
    Identification of clinical candidate M2698, a dual p70S6K and akt inhibitor, for treatment of PAM pathway-altered cancers
    Journal of Medicinal Chemistry. 2021; 64(19): 14603-14619. https://doi.org/10.1021/acs.jmedchem.1c01087
    DORA PSI