Publications

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

  • Amrhein JA, Berger LM, Balourdas DI, Joerger AC, Menge A, Krämer A, et al.
    Synthesis of pyrazole-based macrocycles leads to a highly selective inhibitor for MST3
    Journal of Medicinal Chemistry. 2024; 67(1): 674-690. https://doi.org/10.1021/acs.jmedchem.3c01980
    DORA PSI
  • Berlin M, Cantley J, Bookbinder M, Bortolon E, Broccatelli F, Cadelina G, et al.
    PROTACs targeting BRM (SMARCA2) afford selective In vivo degradation over BRG1 (SMARCA4) and are active in BRG1 mutant xenograft tumor models
    Journal of Medicinal Chemistry. 2024; 67: 1262-1313. https://doi.org/10.1021/acs.jmedchem.3c01781
    DORA PSI
  • Bozhüyük KAJ, Präve L, Kegler C, Schenk L, Kaiser S, Schelhas C, et al.
    Evolution-inspired engineering of nonribosomal peptide synthetases
    Science. 2024; 383(6689): eadg4320 (11 pp.). https://doi.org/10.1126/science.adg4320
    DORA PSI
  • Brescia FF, Korf L, Essen L-O, Zorn H, Ruehl M
    A novel O- and S-methyltransferase from Pleurotus sapidus is involved in flavor formation
    Journal of Agricultural and Food Chemistry. 2024; 72(12): 6471-6480. https://doi.org/10.1021/acs.jafc.3c08849
    DORA PSI
  • Chikunova A, Manley MP, Heijjer CN, Drenth CS, Cramer‐Blok AJ, Ahmad MUD, et al.
    Conserved proline residues prevent dimerization and aggregation in the β‐lactamase BlaC
    Protein Science. 2024; 33(4). https://doi.org/10.1002/pro.4972
    DORA PSI
  • Dötsch L, Davies C, Hennes E, Schönfeld J, Kumar A, Guita CDCL, et al.
    Discovery of the sEH inhibitor epoxykynin as a potent kynurenine pathway modulator
    Journal of Medicinal Chemistry. 2024; 67(6): 4691-4706. https://doi.org/10.1021/acs.jmedchem.3c02245
    DORA PSI
  • Feuillard J, Couston J, Benito Y, Hodille E, Dumitrescu O, Blaise M
    Biochemical and structural characterization of a class A β-lactamase from Nocardia cyriacigeorgica
    Acta Crystallographica Section F: Structural Biology and Crystallization Communications. 2024; 80: 13-21. https://doi.org/10.1107/S2053230X23010671
    DORA PSI
  • Götz MG, Godwin K, Price R, Dorn R, Merrill-Steskal G, Klemmer W, et al.
    Macrocyclic oxindole peptide epoxyketones - a comparative study of macrocyclic inhibitors of the 20S proteasome
    ACS Medicinal Chemistry Letters. 2024; 15(4): 533-539. https://doi.org/10.1021/acsmedchemlett.4c00017
    DORA PSI
  • Heyndrickx I, Deswarte K, Verstraete K, Verschueren KHG, Smole U, Aegerter H, et al.
    Ym1 protein crystals promote type 2 immunity
    eLife. 2024; 12: RP90676 (17 pp.). https://doi.org/10.7554/eLife.90676
    DORA PSI
  • Huang CY, Metz A, Lange R, Artico N, Potot C, Hazemann J, et al.
    Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket
    Acta Crystallographica Section D: Structural Biology. 2024; 80: 123-136. https://doi.org/10.1107/S2059798324000329
    DORA PSI
  • Höing L, Sowa ST, Toplak M, Reinhardt JK, Jakob R, Maier T, et al.
    Biosynthesis of the bacterial antibiotic 3,7-dihydroxytropolone through enzymatic salvaging of catabolic shunt products
    Chemical Science. 2024; 15(20): 7749-7756. https://doi.org/10.1039/d4sc01715c
    DORA PSI
  • Illigmann A, Vielberg MT, Lakemeyer M, Wolf F, Dema T, Stange P, et al.
    Structure of Staphylococcus aureus ClpP bound to the covalent active-site inhibitor cystargolide A
    Angewandte Chemie International Edition. 2024; 63(3): e202314028 (10 pp.). https://doi.org/10.1002/anie.202314028
    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
  • Krawinski P, Smithers L, van Dalsen L, Boland C, Ostrovitsa N, Pérez J, et al.
    7.10 MAG. A novel host monoacylglyceride for in meso (lipid cubic phase) crystallization of membrane proteins
    Crystal Growth and Design. 2024; 24(7): 2985-3001. https://doi.org/10.1021/acs.cgd.4c00087
    DORA PSI
  • Li F, Zhu WF, Empel C, Datsenko O, Kumar A, Xu Y, et al.
    Photosensitization enables Pauson-Khand-type reactions with nitrenes
    Science. 2024; 383(6682): 498-503. https://doi.org/10.1126/science.adm8095
    DORA PSI
  • Metz A, Stegmann DP, Panepucci EH, Buehlmann S, Huang CY, McAuley KE, et al.
    HEIDI: an experiment-management platform enabling high-throughput fragment and compound screening
    Acta Crystallographica Section D: Structural Biology. 2024; 80: 328-335. https://doi.org/10.1107/S2059798324002833
    DORA PSI
  • Morstein J, Amatuni A, Shuster A, Kuttenlochner W, Ko T, Abegg D, et al.
    Optical control of proteasomal protein degradation with a photoswitchable lipopeptide
    Angewandte Chemie International Edition. 2024; 63(8): e202314791 (7 pp.). https://doi.org/10.1002/anie.202314791
    DORA PSI
  • Nievergelt P, Berliat F, McAuley KE, Dorgan CR, van Well RM, Thorn A, et al.
    RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines
    ChemMedChem. 2024; 19(7): e202300600 (5 pp.). https://doi.org/10.1002/cmdc.202300600
    DORA PSI
  • Santema LL, Rotilio L, Xiang R, Tjallinks G, Guallar V, Mattevi A, et al.
    Discovery and biochemical characterization of thermostable glycerol oxidases
    Applied Microbiology and Biotechnology. 2024; 108: 61 (14 pp.). https://doi.org/10.1007/s00253-023-12883-9
    DORA PSI
  • Schweke H, Pacesa M, Levin T, Goverde CA, Kumar P, Duhoo Y, et al.
    An atlas of protein homo-oligomerization across domains of life
    Cell. 2024; 187(4): 999-1010.e15. https://doi.org/10.1016/j.cell.2024.01.022
    DORA PSI
  • Tsujino S, Sato Y, Jia S, Kepa MW, Trampari S, Tomizaki T
    Inertial mixing of acoustically levitated droplets for time-lapse protein crystallography
    Droplet. 2024; e132. https://doi.org/10.1002/dro2.132
    DORA PSI
  • Vulpetti A, Rondeau JM, Bellance MH, Blank J, Boesch R, Boettcher A, et al.
    Ligandability assessment of IL-1β by integrated hit identification approaches
    Journal of Medicinal Chemistry. 2024; 67: 8141-8160. https://doi.org/10.1021/acs.jmedchem.4c00240
    DORA PSI
  • Yu K, Zhang K, Jakob RP, Maier T, Ward TR
    An artificial nickel chlorinase based on the biotin-streptavidin technology
    Chemical Communications. 2024; 60(14): 1944-1947. https://doi.org/10.1039/d3cc05847f
    DORA PSI
  • Amaral B, Capacci A, Anderson T, Tezer C, Bajrami B, Lulla M, et al.
    Elucidation of the GSK3α structure informs the design of novel, paralog-selective inhibitors
    ACS Chemical Neuroscience. 2023; 14(6): 1080-1094. https://doi.org/10.1021/acschemneuro.2c00476
    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
  • Asano W, Yamanaka K, Ohara Y, Uhara T, Doi S, Orita T, et al.
    Fragment-based discovery of novel VE-PTP inhibitors using orthogonal biophysical techniques
    Biochemistry. 2023; 62(14): 2161-2169. https://doi.org/10.1021/acs.biochem.3c00079
    DORA PSI
  • Balboa JR, Essig DJ, Ma S, Karer N, Clemmensen LS, Pedersen SW, et al.
    Development of a potent cyclic peptide inhibitor of the nNOS/PSD-95 interaction
    Journal of Medicinal Chemistry. 2023; 66(1): 976-990. https://doi.org/10.1021/acs.jmedchem.2c01803
    DORA PSI
  • Balo T, Sapi A, Kiss A, Raimbaud E, Paysant J, Cattin M-E, et al.
    Synthesis of thieno[2,3-c]pyridine derived GRK2 inhibitors
    Monatshefte für Chemie. 2023; 154: 1339-1357. https://doi.org/10.1007/s00706-021-02889-2
    DORA PSI
  • Boland C, Huang C-Y, Shanker Kaki S, Wang M, Olieric V, Caffrey M
    Se-MAG is a convenient additive for experimental phasing and structure determination of membrane proteins crystallised by the lipid cubic phase (in meso) method
    Crystals. 2023; 13(9): 1402 (20 pp.). https://doi.org/10.3390/cryst13091402
    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
  • Buchstaller H-P, Sala-Hojman A, Leiendecker M, Albers J, Anlauf U, Berges N, et al.
    Discovery of cycloalkyl[c]thiophenes as novel scaffolds for hypoxia-inducible factor-2α inhibitors
    Journal of Medicinal Chemistry. 2023; 66(13): 8666-8686. https://doi.org/10.1021/acs.jmedchem.3c00332
    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
  • Cao Y, Kümmel F, Logemann E, Gebauer JM, Lawson AW, Yu D, et al.
    Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2023; 120(32): e2307604120 (11 pp.). https://doi.org/10.1073/pnas.2307604120
    DORA PSI
  • Cucuzza S, Michel E, Mittl PRE, Zerbe O, Plückthun A
    Improved repeat protein stability by combined consensus and computational protein design
    Biochemistry. 2023; 62(2): 318-329. https://doi.org/10.1021/acs.biochem.2c00083
    DORA PSI
  • Davis-Gilbert ZW, Krämer A, Dunford JE, Howell S, Senbabaoglu F, Wells CI, et al.
    Discovery of a potent and selective naphthyridine-based chemical probe for casein kinase 2
    ACS Medicinal Chemistry Letters. 2023; 14(4): 432-441. https://doi.org/10.1021/acsmedchemlett.2c00530
    DORA PSI
  • Deau E, Lindberg MF, Miege F, Roche D, George N, George P, et al.
    Leucettinibs, a class of DYRK/CLK kinase inhibitors Inspired by the marine sponge natural product leucettamine B
    Journal of Medicinal Chemistry. 2023; 66(15): 10694-10714. https://doi.org/10.1021/acs.jmedchem.3c00884
    DORA PSI
  • Dienemann J-N, Chen S-Y, Hitzenberger M, Sievert ML, Hacker SM, Prigge ST, et al.
    A chemical proteomic strategy reveals inhibitors of lipoate salvage in bacteria and parasites
    Angewandte Chemie International Edition. 2023; 62(31): e202304533 (9 pp.). https://doi.org/10.1002/anie.202304533
    DORA PSI
  • Doyle K, Roberts M, Harvey J, Hewer R, Zebisch M, Rangel V, et al.
    A covalent binding mode of a pyrazole-based CD38 inhibitor
    Helvetica Chimica Acta. 2023; 106(9): e202300080 (10 pp.). https://doi.org/10.1002/hlca.202300080
    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
  • Ecker F, Vattekkatte A, Boland W, Groll M
    Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors
    Nature Chemistry. 2023; 15: 1188-1195. https://doi.org/10.1038/s41557-023-01235-9
    DORA PSI
  • Eltschkner S, Mellinger S, Buus S, Nielsen M, Paulsson KM, Lindkvist-Petersson K, et al.
    The structure of songbird MHC class I reveals antigen binding that is flexible at the N-terminus and static at the C-terminus
    Frontiers in Immunology. 2023; 14: 1209059 (14 pp.). https://doi.org/10.3389/fimmu.2023.1209059
    DORA PSI
  • Emmerich H-J, Schneider L, Essen L-O
    Structural and functional analysis of a prokaryotic (6-4) photolyase from the aquatic pathogen Vibrio cholerae
    Photochemistry and Photobiology. 2023; 99(5): 1248-1257. https://doi.org/10.1111/php.13783
    DORA PSI
  • Fleming JR, Hauth F, Hartig JS, Mayans O
    Crystal structure of a GCN5-related N-acetyltransferase from Lactobacillus curiae
    Acta Crystallographica Section F: Structural Biology and Crystallization Communications. 2023; 79: 217-223. https://doi.org/10.1107/S2053230X2300571X
    DORA PSI
  • Fonseca Lopez F, Miao J, Damjanovic J, Bischof L, Braun MB, Ling Y, et al.
    Computational prediction of cyclic peptide structural ensembles and application to the design of keap1 binders
    Journal of Chemical Information and Modeling. 2023; 63(21): 6925-6937. https://doi.org/10.1021/acs.jcim.3c01337
    DORA PSI
  • Fraley AE, Dell M, Schmalhofer M, Meoded RA, Bergande C, Groll M, et al.
    Heterocomplex structure of a polyketide synthase component involved in modular backbone halogenation
    Structure. 2023; 31(5): 565-572.e4. https://doi.org/10.1016/j.str.2023.02.010
    DORA PSI
  • Furukawa Y, Shintani A, Narikiyo S, Sue K, Akutsu M, Muraki N
    Characterization of a novel cysteine-less Cu/Zn-superoxide dismutase in Paenibacillus lautus missing a conserved disulfide bond
    Journal of Biological Chemistry. 2023; 299(8): 105040 (13 pp.). https://doi.org/10.1016/j.jbc.2023.105040
    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
  • Grädler U, Schwarz D, Wegener A, Eichhorn T, Bandeiras TM, Freitas MC, et al.
    Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding
    Journal of Biological Chemistry. 2023; 299(11): 105328 (14 pp.). https://doi.org/10.1016/j.jbc.2023.105328
    DORA PSI
  • Guler S, DiPoto MC, Crespo A, Caldwell R, Doerfel B, Grossmann N, et al.
    Selective Wee1 inhibitors led to antitumor activity in vitro and correlated with myelosuppression
    ACS Medicinal Chemistry Letters. 2023; 14(5): 566-576. https://doi.org/10.1021/acsmedchemlett.2c00481
    DORA PSI
  • Hashimoto K, Watanabe S, Akutsu M, Muraki N, Kamishina H, Furukawa Y, et al.
    Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy–linked E40K mutation
    Journal of Biological Chemistry. 2023; 299(6): 104798 (12 pp.). https://doi.org/10.1016/j.jbc.2023.104798
    DORA PSI
  • Hau JL, Kaltwasser S, Muras V, Casutt MS, Vohl G, Claußen B, et al.
    Conformational coupling of redox-driven Na+-translocation in Vibrio cholerae NADH:quinone oxidoreductase
    Nature Structural and Molecular Biology. 2023; 30(11): 1686-1694. https://doi.org/10.1038/s41594-023-01099-0
    DORA PSI
  • Hermanns T, Uthoff M, Baumann U, Hofmann K
    The structural basis for deubiquitination by the fingerless USP-type effector TssM
    Life Science Alliance. 2023; 7(2): e202302422 (13 pp.). https://doi.org/10.26508/lsa.202302422
    DORA PSI
  • Hoegenauer K, An S, Axford J, Benander C, Bergsdorf C, Botsch J, et al.
    Discovery of ligands for TRIM58, a novel tissue-selective E3 ligase
    ACS Medicinal Chemistry Letters. 2023; 14(12): 1631-1639. https://doi.org/10.1021/acsmedchemlett.3c00259
    DORA PSI
  • Hu Z, Sitkoff D, Glunz PW, Zou Y, Wang C, Muckelbauer JK, et al.
    Phthalazinone-based lactams and cyclic ureas as ROCK2 selective inhibitors
    Bioorganic and Medicinal Chemistry Letters. 2023; 88: 129304 (5 pp.). https://doi.org/10.1016/j.bmcl.2023.129304
    DORA PSI
  • Huber EM, Kreling L, Heinrich AK, Dünnebacke M, Pöthig A, Bode HB, et al.
    A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments
    Structure. 2023; 31(5): 573-583.e5. https://doi.org/10.1016/j.str.2023.03.001
    DORA PSI
  • Imai Y, Wakasugi D, Suzuki R, Kato S, Sugisaki M, Mima M, et al.
    Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor
    Bioorganic and Medicinal Chemistry Letters. 2023; 79: 129050 (6 pp.). https://doi.org/10.1016/j.bmcl.2022.129050
    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
  • Kaenying W, Choengpanya K, Tagami T, Wattana-Amorn P, Lang W, Okuyama M, et al.
    Crystal structure and identification of amino acid residues for catalysis and binding of GH3 AnBX β-xylosidase from Aspergillus niger
    Applied Microbiology and Biotechnology. 2023; 107(7-8): 2335-2349. https://doi.org/10.1007/s00253-023-12445-z
    DORA PSI
  • Kaspers MS, Pogenberg V, Pett C, Ernst S, Ecker F, Ochtrop P, et al.
    Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b
    Nature Communications. 2023; 14(1): 2245 (15 pp.). https://doi.org/10.1038/s41467-023-37621-7
    DORA PSI
  • Kim D, Herdeis L, Rudolph D, Zhao Y, Böttcher J, Vides A, et al.
    Pan-KRAS inhibitor disables oncogenic signalling and tumour growth
    Nature. 2023; 619(7968): 160-166. https://doi.org/10.1038/s41586-023-06123-3
    DORA PSI
  • Korf L, Ye X, Vogt MS, Steinchen W, Watad M, van der Does C, et al.
    Archaeal GPN-loop GTPases involve a lock-switch-rock mechanism for GTP hydrolysis
    mBio. 2023; 14(6): e00859-23 (22 pp.). https://doi.org/10.1128/mbio.00859-23
    DORA PSI
  • Kunka A, Marques SM, Havlasek M, Vasina M, Velatova N, Cengelova L, et al.
    Advancing enzyme’s stability and catalytic efficiency through synergy of force-field calculations, evolutionary analysis, and machine learning
    ACS Catalysis. 2023; 13(19): 12506-12518. https://doi.org/10.1021/acscatal.3c02575
    DORA PSI
  • Kuttruff CA, Fleck M, Carotta S, Arnhof H, Bretschneider T, Dahmann G, et al.
    Discovery of BI 7446: a potent cyclic dinucleotide STING agonist with broad-spectrum variant activity for the treatment of cancer
    Journal of Medicinal Chemistry. 2023; 66(14): 9376-9400. https://doi.org/10.1021/acs.jmedchem.3c00510
    DORA PSI
  • Le K, Soth MJ, Cross JB, Liu G, Ray WJ, Ma J, et al.
    Discovery of IACS-52825, a potent and selective DLK inhibitor for treatment of chemotherapy-induced peripheral neuropathy
    Journal of Medicinal Chemistry. 2023; 66(14): 9954-9971. https://doi.org/10.1021/acs.jmedchem.3c00788
    DORA PSI
  • Lebrette H, Srinivas V, John J, Aurelius O, Kumar R, Lundin D, et al.
    Structure of a ribonucleotide reductase R2 protein radical
    Science. 2023; 382(6666): 109-113. https://doi.org/10.1126/science.adh8160
    DORA PSI
  • Lemcoff T, Alus L, Haataja JS, Wagner A, Zhang G, Pavan MJ, et al.
    Brilliant whiteness in shrimp from ultra-thin layers of birefringent nanospheres
    Nature Photonics. 2023; 17(6): 485-493. https://doi.org/10.1038/s41566-023-01182-4
    DORA PSI
  • Lentink S, Salazar Marcano DE, Moussawi MA, Vandebroek L, Van Meervelt L, Parac-Vogt T N
    Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins
    Faraday Discussions. 2023; 244(21): 21-38. https://doi.org/10.1039/d2fd00161f
    DORA PSI
  • Leonarski F, Brückner M, Lopez-Cuenca C, Mozzanica A, Stadler H-C, Matěj Z, et al.
    Jungfraujoch: hardware-accelerated data-acquisition system for kilohertz pixel-array X-ray detectors
    Journal of Synchrotron Radiation. 2023; 30: 227-234. https://doi.org/10.1107/S1600577522010268
    DORA PSI
  • Leonarski F, Nan J, Matej Z, Bertrand Q, Furrer A, Gorgisyan I, et al.
    Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source
    IUCrJ. 2023; 10(6): 729-737. https://doi.org/10.1107/S2052252523008618
    DORA PSI
  • Manner C, Dias Teixeira R, Saha D, Kaczmarczyk A, Zemp R, Wyss F, et al.
    A genetic switch controls Pseudomonas aeruginosa surface colonization
    Nature Microbiology. 2023; 8: 1520-1533. https://doi.org/10.1038/s41564-023-01403-0
    DORA PSI
  • Mattoteia D, Chiapparino A, Fumagalli M, De Marco M, De Giorgi F, Negro L, et al.
    Identification of regulatory molecular "hot spots” for LH/PLOD collagen glycosyltransferase activity
    International Journal of Molecular Sciences. 2023; 24(13): 11213 (22 pp.). https://doi.org/10.3390/ijms241311213
    DORA PSI
  • Mauxion F, Basquin J, Ozgur S, Rame M, Albrecht J, Schäfer I, et al.
    The human CNOT1-CNOT10-CNOT11 complex forms a structural platform for protein-protein interactions
    Cell Reports. 2023; 42(1): 111902 (18 pp.). https://doi.org/10.1016/j.celrep.2022.111902
    DORA PSI
  • Mazzucato R, Roberti M, Capelli AM, Rancati F, Biagetti M, Fiorelli C, et al.
    Application of an “inhalation by design” approach to the identification and in-vitro evaluation of novel purine based PI3Kδ inhibitors
    European Journal of Medicinal Chemistry. 2023; 254: 115331 (15 pp.). https://doi.org/10.1016/j.ejmech.2023.115331
    DORA PSI
  • Mizuguchi M, Yokoyama T, Okada T, Nakagawa Y, Fujii K, Nabeshima Y, et al.
    Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis
    Bioorganic and Medicinal Chemistry. 2023; 90: 117370 (12 pp.). https://doi.org/10.1016/j.bmc.2023.117370
    DORA PSI
  • Mizuguchi M, Nakagawa Y, Yokoyama T, Okada T, Fujii K, Takahashi K, et al.
    Development of benziodarone analogues with enhanced potency for selective binding to transthyretin in human plasma
    Journal of Medicinal Chemistry. 2023; 67: 6987-7005. https://doi.org/10.1021/acs.jmedchem.3c02286
    DORA PSI
  • Mohr MKF, Saleem-Batcha R, Cornelissen NV, Andexer JN
    Enzymatic synthesis of l-Methionine analogues and application in a methyltransferase catalysed alkylation cascade**
    Chemistry: A European Journal. 2023; 29(46): e202301503 (6 pp.). https://doi.org/10.1002/chem.202301503
    DORA PSI
  • Mordhorst S, Badmann T, Bösch NM, Morinaka BI, Rauch H, Piel J, et al.
    Structural and biochemical insights into post-translational arginine-to-ornithine peptide modifications by an atypical arginase
    ACS Chemical Biology. 2023; 18(3): 528-536. https://doi.org/10.1021/acschembio.2c00879
    DORA PSI
  • Moriyama S, Anraku Y, Taminishi S, Adachi Y, Kuroda D, Kita S, et al.
    Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants
    Nature Communications. 2023; 14(1): 4198 (17 pp.). https://doi.org/10.1038/s41467-023-39890-8
    DORA PSI
  • Nemergut M, Pluskal D, Horackova J, Sustrova T, Tulis J, Barta T, et al.
    Illuminating the mechanism and allosteric behavior of NanoLuc luciferase
    Nature Communications. 2023; 14(1): 7864 (20 pp.). https://doi.org/10.1038/s41467-023-43403-y
    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
  • Otake K, Ubukata M, Nagahashi N, Ogawa N, Hantani Y, Hantani R, et al.
    Methyl and fluorine effects in novel orally bioavailable Keap1-Nrf2 PPI inhibitor
    ACS Medicinal Chemistry Letters. 2023; 14(5): 658-665. https://doi.org/10.1021/acsmedchemlett.3c00067
    DORA PSI
  • Owen RL, de Sanctis D, Pearson AR, Beale JH
    A standard descriptor for fixed-target serial crystallography
    Acta Crystallographica Section D: Structural Biology. 2023; 79(8): 668-672. https://doi.org/10.1107/S2059798323005429
    DORA PSI
  • Pichon MM, Drelinkiewicz D, Lozano D, Moraru R, Hayward LJ, Jones M, et al.
    Structure-reactivity studies of 2-sulfonylpyrimidines allow selective protein arylation
    Bioconjugate Chemistry. 2023; 34(9): 1679-1687. https://doi.org/10.1021/acs.bioconjchem.3c00322
    DORA PSI
  • Rak M, Tesch R, Berger LM, Shevchenko E, Raab M, Tjaden A, et al.
    Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily
    European Journal of Medicinal Chemistry. 2023; 254: 115347. https://doi.org/10.1016/j.ejmech.2023.115347
    DORA PSI
  • Remm S, De Vecchis D, Schöppe J, Hutter CAJ, Gonda I, Hohl M, et al.
    Structural basis for triacylglyceride extraction from mycobacterial inner membrane by MFS transporter Rv1410
    Nature Communications. 2023; 14(1): 6449 (17 pp.). https://doi.org/10.1038/s41467-023-42073-0
    DORA PSI
  • Rodriguez Buitrago JA, Leitis G, Kaņepe-Lapsa I, Rudnickiha A, Parisini E, Jirgensons A
    Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor
    Organic and Biomolecular Chemistry. 2023; 21(26): 5433-5439. https://doi.org/10.1039/D3OB00670K
    DORA PSI
  • Santema LL, Basile L, Binda C, Fraaije MW
    Discovery and structural characterization of a thermostable bacterial monoamine oxidase
    FEBS Journal. 2023. https://doi.org/10.1111/febs.16973
    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
  • Shishiuchi R, Kang H, Tagami T, Ueda Y, Lang W, Kimura A, et al.
    Discovery of α-L-glucosidase raises the possibility of α-L-glucosides in nature
    ACS Omega. 2023; 7(50): 47411-47423. https://doi.org/10.1021/acsomega.2c06991
    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
  • Smithers L, Degtjarik O, Weichert D, Huang C-Y, Boland C, Bowen K, et al.
    Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N-acyltransferase
    Science Advances. 2023; 9(26): eadf5799 (17 pp.). https://doi.org/10.1126/sciadv.adf5799
    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
  • Strubel A, Münick P, Hartmann O, Chaikuad A, Dreier B, Schaefer JV, et al.
    DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma
    Cell Death & Disease. 2023; 14(10): 674 (12 pp.). https://doi.org/10.1038/s41419-023-06213-0
    DORA PSI
  • Subbiah V, Sahai V, Maglic D, Bruderek K, Touré BB, Zhao S, et al.
    RLY-4008, the first highly selective FGFR2 inhibitor with activity across FGFR2 alterations and resistance mutations
    Cancer Discovery. 2023; 13(9): 2012-2031. https://doi.org/10.1158/2159-8290.CD-23-0475
    DORA PSI
  • Tang S, Garzon Sanz M, Smith O, Krämer A, Egbase D, Caton PW, et al.
    Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators
    Acta Pharmaceutica Sinica B. 2023; 13(2): 709-721. https://doi.org/10.1016/j.apsb.2022.07.016
    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
  • Vaas S, Zimmermann MO, Schollmeyer D, Stahlecker J, Engelhardt MU, Rheinganz J, et al.
    Principles and applications of CF2X moieties as unconventional halogen bond donors in medicinal chemistry, chemical biology, and drug discovery
    Journal of Medicinal Chemistry. 2023; 66(15): 10202-10225. https://doi.org/10.1021/acs.jmedchem.3c00634
    DORA PSI
  • Warstat R, Pervaiz M, Regenass P, Amann M, Schmidtkunz K, Einsle O, et al.
    A novel pan-selective bromodomain inhibitor for epigenetic drug design
    European Journal of Medicinal Chemistry. 2023; 249: 115139 (12 pp.). https://doi.org/10.1016/j.ejmech.2023.115139
    DORA PSI
  • Werel L, Farmani N, Krol E, Serrania J, Essen L-O, Becker A
    Structural basis of dual specificity of Sinorhizobium meliloti Clr, a cAMP and cGMP receptor protein
    mBio. 2023; 14(2): (19 pp.). https://doi.org/10.1128/mbio.03028-22
    DORA PSI
  • Werner A-D, Schauflinger M, Norris MJ, Klüver M, Trodler A, Herwig A, et al.
    The C-terminus of Sudan ebolavirus VP40 contains a functionally important CXnC motif, a target for redox modifications
    Structure. 2023; 31(9): 1038-1051.e7. https://doi.org/10.1016/j.str.2023.06.004
    DORA PSI
  • Wranik M, Weinert T, Slavov C, Masini T, Furrer A, Gaillard N, et al.
    Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography
    Nature Communications. 2023; 14(1): 903 (12 pp.). https://doi.org/10.1038/s41467-023-36481-5
    DORA PSI
  • Wurm JP
    Structural basis for RNA-duplex unwinding by the DEAD-box helicase DbpA
    RNA. 2023; 29(9): 1339-1354. https://doi.org/10.1261/rna.079582.123
    DORA PSI
  • Zhang L, Toplak M, Saleem-Batcha R, Höing L, Jakob R, Jehmlich N, et al.
    Bacterial dehydrogenases facilitate oxidative inactivation and bioremediation of chloramphenicol
    ChemBioChem. 2023; 24: 2-e202200632 (5 pp.). https://doi.org/10.1002/cbic.202200632
    DORA PSI
  • Zhang J, Lair C, Roubert C, Amaning K, Barrio MB, Benedetti Y, et al.
    Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents
    Cell. 2023; 186(5): 1013-1025.e24. https://doi.org/10.1016/j.cell.2023.01.043
    DORA PSI
  • Zhang S, Zhang L, Greule A, Tailhades J, Marschall E, Prasongpholchai P, et al.
    P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate
    Acta Pharmaceutica Sinica B. 2023; 13(8): 3561-3574. https://doi.org/10.1016/j.apsb.2023.03.021
    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
  • Albert L, Nagpal J, Steinchen W, Zhang L, Werel L, Djokovic N, et al.
    Bistable photoswitch allows in vivo control of hematopoiesis
    ACS Central Science. 2022; 8(1): 57-66. https://doi.org/10.1021/acscentsci.1c00434
    DORA PSI
  • Astro V, Ramirez-Calderon G, Pennucci R, Caroli J, Saera-Vila A, Cardona-Londoño K, et al.
    Fine-tuned KDM1A alternative splicing regulates human cardiomyogenesis through an enzymatic-independent mechanism
    iScience. 2022; 25(7): 104665 (32 pp.). https://doi.org/10.1016/j.isci.2022.104665
    DORA PSI
  • Auman D, Ecker F, Mader SL, Dorst KM, Bräuer A, Widmalm G, et al.
    Peroxy intermediate drives carbon bond activation in the dioxygenase AsqJ
    Journal of the American Chemical Society. 2022; 144(34): 15622-15632. https://doi.org/10.1021/jacs.2c05650
    DORA PSI
  • Baudrexl M, Fida T, Berk B, Schwarz WH, Zverlov VV, Groll M, et al.
    Biochemical and structural characterization of thermostable GH159 glycoside hydrolases exhibiting α-L-arabinofuranosidase activity
    Frontiers in Molecular Biosciences. 2022; 9: 907439 (15 pp.). https://doi.org/10.3389/fmolb.2022.907439
    DORA PSI
  • Beaumet M, Dose A, Bräuer A, Mahy JP, Ghattas W, Groll M, et al.
    An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity
    Journal of Inorganic Biochemistry. 2022; 235: 111914 (5 pp.). https://doi.org/10.1016/j.jinorgbio.2022.111914
    DORA PSI
  • Begnini F, Geschwindner S, Johansson P, Wissler L, Lewis RJ, Danelius E, et al.
    Importance of binding site hydration and flexibility revealed when optimizing a macrocyclic inhibitor of the Keap1-Nrf2 protein-protein interaction
    Journal of Medicinal Chemistry. 2022; 65(4): 3473-3517. https://doi.org/10.1021/acs.jmedchem.1c01975
    DORA PSI
  • Bloch JS, Sequeira JM, Ramírez AS, Quadros EV, Locher KP
    Generation of nanobodies targeting the human, transcobalamin-mediated vitamin B12 uptake route
    FASEB Journal. 2022; 36(4): e22222 (11 pp.). https://doi.org/10.1096/fj.202101376RR
    DORA PSI
  • Bonagas N, Gustafsson NMS, Henriksson M, Marttila P, Gustafsson R, Wiita E, et al.
    Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress
    Nature Cancer. 2022; 3(2): 156-172. https://doi.org/10.1038/s43018-022-00331-y
    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
  • Bärland N, Rueff A-S, Cebrero G, Hutter CAJ, Seeger MA, Veening JW, et al.
    Mechanistic basis of choline import involved in teichoic acids and lipopolysaccharide modification
    Science Advances. 2022; 8(9): eabm1122 (14 pp.). https://doi.org/10.1126/sciadv.abm1122
    DORA PSI
  • Cansfield AD, Ator MA, Banerjee J, Bestwick M, Bortolato A, Brown GA, et al.
    Novel macrocyclic antagonists of the calcitonin gene-related peptide receptor: design, realization, and structural characterization of protein-ligand complexes
    ACS Chemical Neuroscience. 2022; 13(6): 751-765. https://doi.org/10.1021/acschemneuro.1c00696
    DORA PSI
  • Carvalho LAR, Ross B, Fehr L, Bolgi O, Wöhrle S, Lum KM, et al.
    Chemoproteomics-enabled identification of 4-Oxo-β-lactams as inhibitors of dipeptidyl peptidases 8 and 9
    Angewandte Chemie International Edition. 2022; 61(47): e202210498 (10 pp.). https://doi.org/10.1002/anie.202210498
    DORA PSI
  • Cellini A, Shankar MK, Wahlgren WY, Nimmrich A, Furrer A, James D, et al.
    Structural basis of the radical pair state in photolyases and cryptochromes
    Chemical Communications. 2022; 58(31): 4889-4892. https://doi.org/10.1039/D2CC00376G
    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 Y, Tso K, Heckrodt TJ, Li H, Yen R, Lin N, et al.
    Bicyclic pyrimidine compounds as potent IRAK4 inhibitors
    Bioorganic and Medicinal Chemistry Letters. 2022; 73: 128900 (5 pp.). https://doi.org/10.1016/j.bmcl.2022.128900
    DORA PSI
  • Cisar JS, Pietsch C, DeRatt LG, Jacoby E, Kazmi F, Keohane C, et al.
    N-heterocyclic 3-pyridyl carboxamide inhibitors of DHODH for the treatment of acute myelogenous leukemia
    Journal of Medicinal Chemistry. 2022; 65(16): 11241-11256. https://doi.org/10.1021/acs.jmedchem.2c00788
    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
  • Daniels MH, Malojcic G, Clugston SL, Williams B, Coeffet-Le Gal M, Pan-Zhou X-R, et al.
    Discovery and optimization of highly selective inhibitors of CDK5
    Journal of Medicinal Chemistry. 2022; 65(4): 3575-3596. https://doi.org/10.1021/acs.jmedchem.1c02069
    DORA PSI
  • Deluigi M, Morstein L, Schuster M, Klenk C, Merklinger L, Cridge RR, et al.
    Crystal structure of the α1B-adrenergic receptor reveals molecular determinants of selective ligand recognition
    Nature Communications. 2022; 13(1): 382 (13 pp.). https://doi.org/10.1038/s41467-021-27911-3
    DORA PSI
  • Diamanti R, Srinivas V, Johansson AI, Nordström A, Griese JJ, Lebrette H, et al.
    Comparative structural analysis provides new insights into the function of R2-like ligand-binding oxidase
    FEBS Letters. 2022; 569(12): 1600-1610. https://doi.org/10.1002/1873-3468.14319
    DORA PSI
  • Dileep KV, Ihara K, Mishima-Tsumagari C, Kukimoto-Niino M, Yonemochi M, Hanada K, et al.
    Crystal structure of human acetylcholinesterase in complex with tacrine: implications for drug discovery
    International Journal of Biological Macromolecules. 2022; 210: 172-181. https://doi.org/10.1016/j.ijbiomac.2022.05.009
    DORA PSI
  • Drewry DH, Annor-Gyamfi JK, Wells CI, Pickett JE, Dederer V, Preuss F, et al.
    Identification of pyrimidine-based lead compounds for understudied kinases implicated in driving neurodegeneration
    Journal of Medicinal Chemistry. 2022; 65(2): 1313-1328. https://doi.org/10.1021/acs.jmedchem.1c00440
    DORA PSI
  • Funck D, Sinn M, Fleming JR, Stanoppi M, Dietrich J, López-Igual R, et al.
    Discovery of a Ni2+-dependent guanidine hydrolase in bacteria
    Nature. 2022; 603(7901): 515-521. https://doi.org/10.1038/s41586-022-04490-x
    DORA PSI
  • Gao L, Meiring JCM, Varady A, Ruider IE, Heise C, Wranik M, et al.
    In vivo photocontrol of microtubule dynamics and integrity, migration and mitosis, by the potent GFP-imaging-compatible photoswitchable reagents SBTubA4P and SBTub2M
    Journal of the American Chemical Society. 2022; 144(12): 5614-5628. https://doi.org/10.1021/jacs.2c01020
    DORA PSI
  • Ghosh P, Kropp HM, Betz K, Ludmann S, Diederichs K, Marx A, et al.
    Microenvironment-sensitive fluorescent nucleotide probes from benzofuran, benzothiophene, and selenophene as substrates for DNA polymerases
    Journal of the American Chemical Society. 2022; 144(23): 10556-10569. https://doi.org/10.1021/jacs.2c03454
    DORA PSI
  • Gilzer D, Schreiner M, Niemann HH
    Direct interaction of a chaperone-bound type III secretion substrate with the export gate
    Nature Communications. 2022; 13(1): 2858 (13 pp.). https://doi.org/10.1038/s41467-022-30487-1
    DORA PSI
  • Gude F, Molloy EM, Horch T, Dell M, Dunbar KL, Krabbe J, et al.
    A specialized polythioamide-binding protein confers antibiotic self-resistance in anaerobic bacteria
    Angewandte Chemie International Edition. 2022; 61(37): e202206168 (9 pp.). https://doi.org/10.1002/anie.202206168
    DORA PSI
  • Guo Y, Alvigini L, Trajkovic M, Alonso-Cotchico L, Monza E, Savino S, et al.
    Structure- and computational-aided engineering of an oxidase to produce isoeugenol from a lignin-derived compound
    Nature Communications. 2022; 13(1): 7195 (12 pp.). https://doi.org/10.1038/s41467-022-34912-3
    DORA PSI
  • Heinrich T, Peterson C, Schneider R, Garg S, Schwarz D, Gunera J, et al.
    Optimization of TEAD P-site binding fragment hit into in vivo active lead MSC-4106
    Journal of Medicinal Chemistry. 2022; 65(13): 9206-9229. https://doi.org/10.1021/acs.jmedchem.2c00403
    DORA PSI
  • Hu S, El Sahili A, Kishore S, Wong YH, Hemu X, Goh BC, et al.
    Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase
    Plant Cell. 2022; 34(12): 4936-4949. https://doi.org/10.1093/plcell/koac281
    DORA PSI
  • Huang C-Y, Aumonier S, Engilberge S, Eris D, Smith KML, Leonarski F, et al.
    Probing ligand binding of endothiapepsin by 'temperature-resolved' macromolecular crystallography
    Acta Crystallographica Section D: Structural Biology. 2022; 78: 964-974. https://doi.org/10.1107/S205979832200612X
    DORA PSI
  • Huber EM, Hortschansky P, Scheven MT, Misslinger M, Haas H, Brakhage AA, et al.
    Structural insights into cooperative DNA recognition by the CCAAT-binding complex and its bZIP transcription factor HapX
    Structure. 2022; 30(7): 934-946.e4. https://doi.org/10.1016/j.str.2022.04.001
    DORA PSI
  • Jia S, Sato Y, Tsujino S
    Size and shape dependent rotation characteristics of thin film ultrasonic rotors
    Applied Physics Letters. 2022; 121(25): 254102 (6 pp.). https://doi.org/10.1063/5.0126000
    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
  • Kaplan E, Greene NP, Jepson AE, Koronakis V
    Structural basis of lipoprotein recognition by the bacterial Lol trafficking chaperone LolA
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2022; 119(36): e2208662119 (9 pp.). https://doi.org/10.1073/pnas.2208662119
    DORA PSI
  • Kepa MW, Tomizaki T, Sato Y, Ozerov D, Sekiguchi H, Yasuda N, et al.
    Acoustic levitation and rotation of thin films and their application for room temperature protein crystallography
    Scientific Reports. 2022; 12: 5349 (14 pp.). https://doi.org/10.1038/s41598-022-09167-z
    DORA PSI
  • Kiss C, Gall FM, Dreier B, Adams M, Riedl R, Plückthun A, et al.
    Structure of a hydrophobic leucinostatin derivative determined by host lattice display
    Acta Crystallographica Section D: Structural Biology. 2022; 78(12): 1439-1450. https://doi.org/10.1107/S2059798322010762
    DORA PSI
  • Kroef V, Ruegenberg S, Horn M, Allmeroth K, Ebert L, Bozkus S, et al.
    GFPT2/GFAT2 and AMDHD2 act in tandem to control the hexosamine pathway
    eLife. 2022; 11: e69223 (29 pp.). https://doi.org/10.7554/eLife.69223
    DORA PSI
  • Kurz CG, Preuss F, Tjaden A, Cusack M, Amrhein JA, Chatterjee D, et al.
    Illuminating the dark: highly selective inhibition of serine/threonine kinase 17A with pyrazolo[1,5-a]pyrimidine-Based macrocycles
    Journal of Medicinal Chemistry. 2022; 65(11): 7799-7817. https://doi.org/10.1021/acs.jmedchem.2c00173
    DORA PSI
  • Leit S, Greenwood JR, Mondal S, Carriero S, Dahlgren M, Harriman GC, et al.
    Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis
    Bioorganic and Medicinal Chemistry Letters. 2022; 73: 128891 (10 pp.). https://doi.org/10.1016/j.bmcl.2022.128891
    DORA PSI
  • Li P, Nayeri N, Górecki K, Becares ER, Wang K, Mahato DR, et al.
    PcoB is a defense outer membrane protein that facilitates cellular uptake of copper
    Protein Science. 2022; 31(7): e4364 (16 pp.). https://doi.org/10.1002/pro.4364
    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
  • Maire AL, Rey M, Vivat V, Guée L, Blanc P, Malosse C, et al.
    Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids
    Journal of Molecular Endocrinology. 2022; 69(3): 377-390. https://doi.org/10.1530/JME-22-0021
    DORA PSI
  • May-Dracka TL, Gao F, Hopkins BT, Hronowski X, Chen T, Chodaparambil JV, et al.
    Discovery of phospholipase D inhibitors with improved drug-like properties and central nervous system penetrance
    ACS Medicinal Chemistry Letters. 2022; 13(4): 665-673. https://doi.org/10.1021/acsmedchemlett.1c00682
    DORA PSI
  • Mehta V, Khanppnavar B, Schuster D, Kantarci I, Vercellino I, Kosturanova A, et al.
    Structure of Mycobacterium tuberculosis Cya, an evolutionary ancestor of the mammalian membrane adenylyl cyclases
    eLife. 2022; 11: e77032 (21 pp.). https://doi.org/10.7554/ELIFE.77032
    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
  • Molina R, Garcia-Martin R, López-Méndez B, Grøn Jensen A L, Ciges-Tomas J R, Marchena-Hurtado J, et al.
    Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases
    Nucleic Acids Research. 2022; 50(19): 11199-11213. https://doi.org/10.1093/nar/gkac923
    DORA PSI
  • Mous S, Gotthard G, Ehrenberg D, Sen S, Weinert T, Johnson PJM, et al.
    Dynamics and mechanism of a light-driven chloride pump
    Science. 2022; 375(6583): 845-851. https://doi.org/10.1126/science.abj6663
    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
  • Nass KJ, Ilie IM, Saller MJ, Driessen AJM, Caflisch A, Kammerer RA, et al.
    The role of the N-terminal amphipathic helix in bacterial YidC: insights from functional studies, the crystal structure and molecular dynamics simulations
    Biochimica et Biophysica Acta: Biomembranes. 2022; 1864(3): 183825 (9 pp.). https://doi.org/10.1016/j.bbamem.2021.183825
    DORA PSI
  • Ng S, Brueckner AC, Bahmanjah S, Deng Q, Johnston JM, Ge L, et al.
    Discovery and structure-based design of macrocyclic peptides targeting STUB1
    Journal of Medicinal Chemistry. 2022; 65(14): 9789-9801. https://doi.org/10.1021/acs.jmedchem.2c00406
    DORA PSI
  • Nozal V, Martínez-González L, Gomez-Almeria M, Gonzalo-Consuegra C, Santana P, Chaikuad A, et al.
    TDP-43 Modulation by Tau-Tubulin kinase 1 inhibitors: a new avenue for future amyotrophic lateral sclerosis therapy
    Journal of Medicinal Chemistry. 2022; 65(2): 1585-1607. https://doi.org/10.1021/acs.jmedchem.1c01942
    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
  • Pallesen JS, Munier CC, Bosica F, Andrei SA, Edman K, Gunnarsson A, et al.
    Designing selective drug-like molecular glues for the glucocorticoid receptor/14-3-3 protein-protein interaction
    Journal of Medicinal Chemistry. 2022; 65(24): 16818-16828. https://doi.org/10.1021/acs.jmedchem.2c01635
    DORA PSI
  • Priyanka A, Tisi D, Sixma TK
    Mitoxantrone stacking does not define the active or inactive state of USP15 catalytic domain
    Journal of Structural Biology. 2022; 214(3): 107862 (9 pp.). https://doi.org/10.1016/j.jsb.2022.107862
    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
  • Rohac R, Crack JC, de Rosny E, Gigarel O, Le Brun NE, Fontecilla-Camps JC, et al.
    Structural determinants of DNA recognition by the NO sensor NsrR and related Rrf2-type [FeS]-transcription factors
    Communications Biology. 2022; 5(1): 769 (11 pp.). https://doi.org/10.1038/s42003-022-03745-7
    DORA PSI
  • Rossetti GG, Ossorio MA, Rempel S, Kratzel A, Dionellis VS, Barriot S, et al.
    Non-covalent SARS-CoV-2 Mpro inhibitors developed from in silico screen hits
    Scientific Reports. 2022; 12(1): 2505 (9 pp.). https://doi.org/10.1038/s41598-022-06306-4
    DORA PSI
  • Salustros N, Grønberg C, Abeyrathna NS, Lyu P, Orädd F, Wang K, et al.
    Structural basis of ion uptake in copper-transporting P1B-type ATPases
    Nature Communications. 2022; 13(1): 5121 (11 pp.). https://doi.org/10.1038/s41467-022-32751-w
    DORA PSI
  • Shi Y-M, Hirschmann M, Shi Y-N, Ahmed S, Abebew D, Tobias NJ, et al.
    Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria
    Nature Chemistry. 2022; 14(6): 701-712. https://doi.org/10.1038/s41557-022-00923-2
    DORA PSI
  • Stauffer M, Jeckelmann J-M, Ilgü H, Ucurum Z, Boggavarapu R, Fotiadis D
    Peptide transporter structure reveals binding and action mechanism of a potent PEPT1 and PEPT2 inhibitor
    Communications Chemistry. 2022; 5(1): 23 (10 pp.). https://doi.org/10.1038/s42004-022-00636-0
    DORA PSI
  • Stephenson Clarke JR, Douglas LR, Duriez PJ, Balourdas D-I, Joerger AC, Khadiullina R, et al.
    Discovery of nanomolar-affinity pharmacological chaperones stabilizing the oncogenic p53 mutant Y220C
    ACS Pharmacology & Translational Science. 2022; 5(11): 1169-1180. https://doi.org/10.1021/acsptsci.2c00164
    DORA PSI
  • Strubel A, Münick P, Chaikuad A, Dreier B, Schaefer J, Gebel J, et al.
    Designed ankyrin repeat proteins as a tool box for analyzing p63
    Cell Death and Differentiation. 2022; 29: 2445-2458. https://doi.org/10.1038/s41418-022-01030-y
    DORA PSI
  • Takeuchi K, Ikeda Y, Senda M, Harada A, Okuwaki K, Fukuzawa K, et al.
    The GTP responsiveness of PI5P4Kβ evolved from a compromised trade-off between activity and specificity
    Structure. 2022; 30(6): 886-899.e4. https://doi.org/10.1016/j.str.2022.04.004
    DORA PSI
  • Tao H, Lauterbach L, Bian G, Chen R, Hou A, Mori T, et al.
    Discovery of non-squalene triterpenes
    Nature. 2022; 606(7913): 414-419. https://doi.org/10.1038/s41586-022-04773-3
    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
  • Trottmann F, Ishida K, Ishida-Ito M, Kries H, Groll M, Hertweck C
    Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead
    Nature Chemistry. 2022; 14(8): 884-890. https://doi.org/10.1038/s41557-022-01005-z
    DORA PSI
  • Tsugita A, Uehara S, Matsui T, Yokoyama T, Ostash I, Deneka M, et al.
    The carbohydrate tail of landomycin A is responsible for its interaction with the repressor protein LanK
    FEBS Journal. 2022; 289(19): 6038-6057. https://doi.org/10.1111/febs.16460
    DORA PSI
  • Vollheyde K, Kühnel K, Lambrecht F, Kawelke S, Herrfurth C, Feussner I
    Crystal structure of the bifunctional wax synthase 1 from Acinetobacter baylyi suggests a conformational change upon substrate binding and formation of additional substrate binding sites
    ACS Catalysis. 2022; 12(15): 9753-9765. https://doi.org/10.1021/acscatal.2c01712
    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
  • Wiuf A, Steffen JH, Becares ER, Grønberg C, Mahato DR, Rasmussen SGF, et al.
    The two-domain elevator-type mechanism of zinc-transporting ZIP proteins
    Science Advances. 2022; 8(28): eabn4331 (14 pp.). https://doi.org/10.1126/sciadv.abn4331
    DORA PSI
  • Zhang Q, Balourdas D-I, Baron B, Senitzki A, Haran TE, Wiman KG, et al.
    Evolutionary history of the p53 family DNA-binding domain: insights from an Alvinella pompejana homolog
    Cell Death & Disease. 2022; 13(3): 214 (11 pp.). https://doi.org/10.1038/s41419-022-04653-8
    DORA PSI
  • Akaki T, Bessho Y, Ito T, Fujioka S, Ubukata M, Mori G, et al.
    Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases
    Bioorganic and Medicinal Chemistry. 2021; 44: 116283 (15 pp.). https://doi.org/10.1016/j.bmc.2021.116283
    DORA PSI
  • Akram M, Dietl A, Müller M, Barends TRM
    Purification of the key enzyme complexes of the anammox pathway from DEMON sludge
    Biopolymers. 2021; 112(6): e23428 (11 pp.). https://doi.org/10.1002/bip.23428
    DORA PSI
  • Akram M, Bock J, Dietl A, Barends TRM
    Specificity of small c-type cytochromes in anaerobic ammonium oxidation
    ACS Omega. 2021; 6(33): 21457 (8 pp.)-21464. https://doi.org/10.1021/acsomega.1c02275
    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
  • Amelia T, van Veldhoven JPD, Falsini M, Liu R, Heitman LH, van Westen GJP, et al.
    Crystal structure and subsequent ligand design of a nonriboside partial agonist bound to the adenosine A2A receptor
    Journal of Medicinal Chemistry. 2021; 64(7): 3827-3842. https://doi.org/10.1021/acs.jmedchem.0c01856
    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
  • Bao C, Bajrami B, Marcotte DJ, Chodaparambil JV, Kerns HM, Henderson J, et al.
    Mechanisms of regulation and diverse activities of tau-tubulin kinase (TTBK) isoforms
    Cellular and Molecular Neurobiology. 2021; 41: 669-685. https://doi.org/10.1007/s10571-020-00875-6
    DORA PSI
  • Bartsch A, Ives CM, Kattner C, Pein F, Diehn M, Tanabe M, et al.
    An antibiotic-resistance conferring mutation in a neisserial porin: Structure, ion flux, and ampicillin binding
    Biochimica et Biophysica Acta: Biomembranes. 2021; 1863(6): 183601 (11 pp.). https://doi.org/10.1016/j.bbamem.2021.183601
    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
  • Basse Hansen S, Dyla M, Neumann C, Quistgaard EMH, Andersen JL, Kjaergaard M, et al.
    The crystal structure of the Ca2+-ATPase 1 from Listeria monocytogenes reveals a pump primed for dephosphorylation
    Journal of Molecular Biology. 2021; 433(16): 167015 (11 pp.). https://doi.org/10.1016/j.jmb.2021.167015
    DORA PSI
  • Bauder M, Meyners C, Purder PL, Merz S, Sugiarto WO, Voll AM, et al.
    Structure-based design of high-affinity macrocyclic FKBP51 inhibitors
    Journal of Medicinal Chemistry. 2021; 64(6): 3320-3349. https://doi.org/10.1021/acs.jmedchem.0c02195
    DORA PSI
  • Baumgart M, Röpke M, Mühlbauer ME, Asami S, Mader SL, Fredriksson K, et al.
    Design of buried charged networks in artificial proteins
    Nature Communications. 2021; 12: 1895 (9 pp.). https://doi.org/10.1038/s41467-021-21909-7
    DORA PSI
  • Beliaeva MA, Leisinger F, Seebeck FP
    In vitro reconstitution of a five-step pathway for bacterial ergothioneine catabolism
    ACS Chemical Biology. 2021; 16(2): 397-403. https://doi.org/10.1021/acschembio.0c00968
    DORA PSI
  • Bereiter R, Himmelstoß M, Renard E, Mairhofer E, Egger M, Breuker K, et al.
    Impact of 3-deazapurine nucleobases on RNA properties
    Nucleic Acids Research. 2021; 49(8): 4281-4293. https://doi.org/10.1093/nar/gkab256
    DORA PSI
  • Berger B-T, Amaral M, Kokh DB, Nunes-Alves A, Musil D, Heinrich T, et al.
    Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2
    Cell Chemical Biology. 2021; 28(5): 686-698. https://doi.org/10.1016/j.chembiol.2021.01.003
    DORA PSI
  • Bosshart PD, Kalbermatter D, Bonetti S, Fotiadis D
    The making of a potent L-lactate transport inhibitor
    Communications Chemistry. 2021; 4(1): 128 (9 pp.). https://doi.org/10.1038/s42004-021-00564-5
    DORA PSI
  • Bracco P, Wijma HJ, Nicolai B, Rodriguez Buitrago JA, Klünemann T, Vila A, et al.
    CYP154C5 regioselectivity in steroid hydroxylation explored by substrate modifications and protein engineering
    ChemBioChem. 2021; 22(6): 1099-1110. https://doi.org/10.1002/cbic.202000735
    DORA PSI
  • Brausemann A, Zhang L, Ilcu L, Einsle O
    Architecture of the membrane-bound cytochrome c heme lyase CcmF
    Nature Chemical Biology. 2021; 17(7): 800-805. https://doi.org/10.1038/s41589-021-00793-8
    DORA PSI
  • Brown AJH, Bradley SJ, Marshall FH, Brown GA, Bennett KA, Brown J, et al.
    From structure to clinic: design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease
    Cell. 2021; 184(24): 5886-5901.e22. https://doi.org/10.1016/j.cell.2021.11.001
    DORA PSI
  • Browning C, McEwen AG, Mori K, Yokoi T, Moras D, Nakagawa Y, et al.
    Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP
    Journal of Pesticide Science. 2021; 46(1): 88-100. https://doi.org/10.1584/jpestics.D20-095
    DORA PSI