Publications

PDB structures measured at X06SA

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

  • Guerriere TB, Fraaije MW, Mattevi A
    Biochemical and structural insights into pinoresinol hydroxylase from Pseudomonas sp
    Archives of Biochemistry and Biophysics. 2025; 764: 110247 (8 pp.). https://doi.org/10.1016/j.abb.2024.110247
    DORA PSI
  • Schulte T, Magdaong NCM, Di Valentin M, Agostini A, Tait CE, Niedzwiedzki DM, et al.
    Structural and spectroscopic characterization of the peridinin-chlorophyll a-protein (PCP) complex from Heterocapsa pygmaea (HPPCP)
    Biochimica et Biophysica Acta: Bioenergetics. 2025; 1866(1): 149510 (17 pp.). https://doi.org/10.1016/j.bbabio.2024.149510
    DORA PSI
  • 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
  • Balourdas DI, Markl AM, Krämer A, Settanni G, Joerger AC
    Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators
    Cell Death & Disease. 2024; 15(6): 408. https://doi.org/10.1038/s41419-024-06739-x
    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
  • Beier A, Platzer G, Höfurthner T, Ptaszek AL, Lichtenecker RJ, Geist L, et al.
    Probing protein-ligand methyl−π interaction geometries through chemical shift measurements of selectively labeled methyl groups
    Journal of Medicinal Chemistry. 2024; 67(15): 13187-13196. https://doi.org/10.1021/acs.jmedchem.4c01128
    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
  • Bolduc PN, Pfaffenbach M, Evans R, Xin Z, Henry KL, Gao F, et al.
    A tiny pocket packs a punch: leveraging pyridones for the discovery of CNS-penetrant aza-indazole IRAK4 inhibitors
    ACS Medicinal Chemistry Letters. 2024; 15(5): 714-721. https://doi.org/10.1021/acsmedchemlett.4c00102
    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
  • Bruno P, Micoli A, Corsi M, Pala D, Guariento S, Fiorelli C, et al.
    Discovery and optimization of pyridazinones as PI3Kδ selective inhibitors for administration by inhalation
    Journal of Medicinal Chemistry. 2024; 67: 11103-11124. https://doi.org/10.1021/acs.jmedchem.4c00610
    DORA PSI
  • Buffa V, Meyners C, Sugiarto WO, Bauder M, Gaali S, Hausch F
    1,4-pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile
    ChemMedChem. 2024; 19(17): e202400264 (23 pp.). https://doi.org/10.1002/cmdc.202400264
    DORA PSI
  • Böttcher J, Fuchs JE, Mayer M, Kahmann J, Zak KM, Wunberg T, et al.
    Ligandability assessment of the C-terminal Rel-homology domain of NFAT1
    Archiv der Pharmazie. 2024; 357(6): 2300649 (7 pp.). https://doi.org/10.1002/ardp.202300649
    DORA PSI
  • Carswell E, Heinrich T, Petersson C, Gunera J, Garg S, Schwarz D, et al.
    Discovery of reversible and covalent TEAD 1 selective inhibitors MSC-1254 and MSC-5046 based on one scaffold
    Bioorganic and Medicinal Chemistry Letters. 2024; 114: 129981 (8 pp.). https://doi.org/10.1016/j.bmcl.2024.129981
    DORA PSI
  • Champiré A, Berabez R, Braka A, Cosson A, Corret J, Girardin C, et al.
    Tetrahydropyridine LIMK inhibitors: structure activity studies and biological characterization
    European Journal of Medicinal Chemistry. 2024; 271: 116391 (27 pp.). https://doi.org/10.1016/j.ejmech.2024.116391
    DORA PSI
  • Chen D, Zhang X, Vorobieva AA, Tachibana R, Stein A, Jakob RP, et al.
    An evolved artificial radical cyclase enables the construction of bicyclic terpenoid scaffolds via an H-atom transfer pathway
    Nature Chemistry. 2024. https://doi.org/10.1038/s41557-024-01562-5
    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
  • DeRatt LG, Zhang Z, Pietsch C, Cisar JS, Zhang X, Wang W, et al.
    Discovery of JNJ-74856665: a novel isoquinolinone DHODH inhibitor for the treatment of AML
    Journal of Medicinal Chemistry. 2024; 67: 11254-11272. https://doi.org/10.1021/acs.jmedchem.4c00809
    DORA PSI
  • DeRatt LG, Zhang Z, Pietsch EC, Cisar J, Wang A, Wang C yuan, et al.
    Identification of isoquinolinone DHODH inhibitor isosteres
    Bioorganic and Medicinal Chemistry Letters. 2024; 113: 129965 (7 pp.). https://doi.org/10.1016/j.bmcl.2024.129965
    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
  • Evans R, Bolduc PN, Pfaffenbach M, Gao F, May-Dracka T, Fang T, et al.
    The discovery of 7-isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyrimidine-6-carboxamide (BIO-7488), a potent, selective, and CNS-penetrant IRAK4 inhibitor for the treatment of ischemic stroke
    Journal of Medicinal Chemistry. 2024; 67(6): 4676-4690. https://doi.org/10.1021/acs.jmedchem.3c02226
    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
  • Gerninghaus J, Zhubi R, Krämer A, Karim M, Tran DHN, Joerger AC, et al.
    Back-pocket optimization of 2-aminopyrimidine-based macrocycles leads to potent EPHA2/GAK kinase inhibitors
    Journal of Medicinal Chemistry. 2024; 67(1): 12534-12552. https://doi.org/10.1021/acs.jmedchem.4c00411
    DORA PSI
  • Gollner A, Rudolph D, Weyer-Czernilofsky U, Baumgartinger R, Jung P, Weinstabl H, et al.
    Discovery and characterization of brigimadlin, a novel and highly potent MDM2–p53 antagonist suitable for intermittent dose schedules
    Molecular Cancer Therapeutics. 2024; 23(12): 1689-1702. https://doi.org/10.1158/1535-7163.MCT-23-0783
    DORA PSI
  • Gotthard G, Mous S, Weinert T, Maia RNA, James D, Dworkowski F, et al.
    Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography
    IUCrJ. 2024; 11(5): (17 pp.). https://doi.org/10.1107/S2052252524005608
    DORA PSI
  • Goverde CA, Pacesa M, Goldbach N, Dornfeld LJ, Balbi PEM, Georgeon S, et al.
    Computational design of soluble and functional membrane protein analogues
    Nature. 2024; 631(8020): 449-458. https://doi.org/10.1038/s41586-024-07601-y
    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
  • 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
  • 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
  • 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
  • Himmelbauer MK, Bajrami B, Basile R, Capacci A, Chen TY, Choi CK, et al.
    Discovery and preclinical characterization of BIIB129, a covalent, selective, and brain-penetrant BTK inhibitor for the treatment of multiple sclerosis
    Journal of Medicinal Chemistry. 2024; 67(10): 8122-8140. https://doi.org/10.1021/acs.jmedchem.4c00220
    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
  • Inobe T, Sakaguchi R, Obita T, Mukaiyama A, Koike S, Yokoyama T, et al.
    Structural insights into rapamycin-induced oligomerization of a FRB–FKBP fusion protein
    FEBS Letters. 2024; 598: 2292-2305. https://doi.org/10.1002/1873-3468.14986
    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
  • Kesteleyn B, Herschke F, Darville N, Stoops B, Jacobs T, Jacoby E, et al.
    Spiro-azetidine oxindoles as long-acting injectables for pre-exposure prophylaxis against respiratory syncytial virus infections
    Journal of Medicinal Chemistry. 2024; 67: 10986-11002. https://doi.org/10.1021/acs.jmedchem.4c00514
    DORA PSI
  • Kielkopf CS, Shneider MM, Leiman PG, Taylor NMI
    T6SS-associated Rhs toxin-encapsulating shells: structural and bioinformatical insights into bacterial weaponry and self-protection
    Structure. 2024; 32(12): 2375-2389.e5. https://doi.org/10.1016/j.str.2024.10.008
    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
  • Klett T, Stahlecker J, Jaag S, Masberg B, Knappe C, Lämmerhofer M, et al.
    Covalent fragments acting as tyrosine mimics for mutant p53-Y220C rescue by nucleophilic aromatic substitution
    ACS Pharmacology & Translational Science. 2024. https://doi.org/10.1021/acsptsci.4c00414
    DORA PSI
  • Koeppl LH, Popadić D, Saleem-Batcha R, Germer P, Andexer JN
    Structure, function and substrate preferences of archaeal S-adenosyl-l-homocysteine hydrolases
    Communications Biology. 2024; 7(1): 380 (15 pp.). https://doi.org/10.1038/s42003-024-06078-9
    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
  • Kuttenlochner W, Beller P, Kaysser L, Groll M
    Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: a structure–activity relationship study
    Journal of Biological Chemistry. 2024; 300(9): 107646 (8 pp.). https://doi.org/10.1016/j.jbc.2024.107646
    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
  • 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
  • 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
  • Mitrovic S-A, Demalgiriya-Gamage C, Winter L-M, Kiechle T, Ebenhoch R, Neubauer H, et al.
    GPR180 is a new member of the Golgi-dynamics domain seven-transmembrane helix protein family
    Communications Biology. 2024; 7(1): 1588 (14 pp.). https://doi.org/10.1038/s42003-024-07260-9
    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
  • Muñoz Sosa CJ, Lenz C, Hamann A, Farges F, Dopfer J, Krämer A, et al.
    A C-degron structure-based approach for the development of ligands targeting the E3 ligase TRIM7
    ACS Chemical Biology. 2024; 19(7): 1638-1647. https://doi.org/10.1021/acschembio.4c00301
    DORA PSI
  • Nakane T, Nakagawa R, Ishiguro S, Okazaki S, Mori H, Shuto Y, et al.
    Structure and engineering of Brevibacillus laterosporus Cas9
    Communications Biology. 2024; 7(1): 803 (10 pp.). https://doi.org/10.1038/s42003-024-06422-z
    DORA PSI
  • Nemli DD, Jiang X, Jakob RP, Gloder LM, Schwardt O, Rabbani S, et al.
    Thermodynamics-guided design reveals a cooperative hydrogen bond in DC-SIGN-targeted glycomimetics
    Journal of Medicinal Chemistry. 2024; 67(16): 13813-13828. https://doi.org/10.1021/acs.jmedchem.4c00623
    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
  • Ong HW, Yang X, Smith JL, Dickmander RJ, Brown JW, Havener TM, et al.
    More than an amide bioisostere: discovery of 1,2,4-triazole-containing pyrazolo[1,5-a]pyrimidine host CSNK2 inhibitors for combatting β-coronavirus replication
    Journal of Medicinal Chemistry. 2024; 67(14): 12261-12313. https://doi.org/10.1021/acs.jmedchem.4c00962
    DORA PSI
  • Patsch D, Schwander T, Voss M, Schaub D, Hüppi S, Eichenberger M, et al.
    Enriching productive mutational paths accelerates enzyme evolution
    Nature Chemical Biology. 2024; 20: 1662-1687. https://doi.org/10.1038/s41589-024-01712-3
    DORA PSI
  • Pfaffenbach M, Bolduc PN, Xin Z, Gao F, Evans R, Fang T, et al.
    Discovery of BIO-8169-a highly potent, selective, and brain-penetrant IRAK4 inhibitor for the treatment of neuroinflammation
    Journal of Medicinal Chemistry. 2024; 67(10): 8383-8395. https://doi.org/10.1021/acs.jmedchem.4c00560
    DORA PSI
  • Pflüger T, Gschell M, Zhang L, Shnitsar V, Zabadné AJ, Zierep P, et al.
    How sensor Amt-like proteins integrate ammonium signals
    Science Advances. 2024; 10(23): eadm9441 (16 pp.). https://doi.org/10.1126/sciadv.adm9441
    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
  • Sabath K, Nabih A, Arnold C, Moussa R, Domjan D, Zaugg JB, et al.
    Basis of gene-specific transcription regulation by the Integrator complex
    Molecular Cell. 2024; 84(13): 2525-2541.e12. https://doi.org/10.1016/j.molcel.2024.05.027
    DORA PSI
  • Sagmeister T, Gubensäk N, Buhlheller C, Grininger C, Eder M, Ðordić A, et al.
    The molecular architecture of Lactobacillus S-layer: assembly and attachment to teichoic acids
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2024; 121(24): e2401686121 (12 pp.). https://doi.org/10.1073/pnas.2401686121
    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
  • Santi I, Dias Teixeira R, Manfredi P, Hernandez Gonzalez H, Spiess DC, Mas G, et al.
    Toxin-mediated depletion of NAD and NADP drives persister formation in a human pathogen
    EMBO Journal. 2024; 43(21): 5211-5236. https://doi.org/10.1038/s44318-024-00248-5
    DORA PSI
  • Schmalhofer M, Vagstad AL, Zhou Q, Bode HB, Groll M
    Polyketide trimming shapes dihydroxynaphthalene-melanin and anthraquinone pigments
    Advanced Science. 2024; 11(22): 2400184 (10 pp.). https://doi.org/10.1002/advs.202400184
    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
  • Shinjo K, Umehara T, Niwa H, Sato S, Katsushima K, Sato S, et al.
    Novel pharmacologic inhibition of lysine-specific demethylase 1 as a potential therapeutic for glioblastoma
    Cancer Gene Therapy. 2024; 31: 1884-1894. https://doi.org/10.1038/s41417-024-00847-8
    DORA PSI
  • Sommer-Kamann C, Breiltgens J, Zou Z, Gerhardt S, Saleem-Batcha R, Kemper F, et al.
    Structures and protein engineering of the α-keto acid C-methyltransferases SgvM and MrsA for rational substrate transfer
    ChemBioChem. 2024; 25(19): e202400258 (5 pp.). https://doi.org/10.1002/cbic.202400258
    DORA PSI
  • Stark Y, Menard F, Jeliazkov JR, Ernst P, Chembath A, Ashraf M, et al.
    Modular binder technology by NGS-aided, high-resolution selection in yeast of designed armadillo modules
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2024; 121(27): e2318198121 (11 pp.). https://doi.org/10.1073/pnas.2318198121
    DORA PSI
  • Su L, Huber EM, Westphalen M, Gellner J, Bode E, Köbel T, et al.
    Isofunctional but structurally different methyltransferases for dithiolopyrrolone diversification
    Angewandte Chemie International Edition. 2024; 63(49): e202410799 (9 pp.). https://doi.org/10.1002/anie.202410799
    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; 3(3): e132 (11 PP.). https://doi.org/10.1002/dro2.132
    DORA PSI
  • Umezawa A, Matsumoto M, Handa H, Nakazawa K, Miyagawa M, Seifert GJ, et al.
    Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis
    Plant Journal. 2024; 119(1): 508-524. https://doi.org/10.1111/tpj.16779
    DORA PSI
  • Vandyck K, McGowan DC, Luong XG, Stevens SK, Jekle A, Gupta K, et al.
    Discovery and preclinical profile of ALG-055009, a potent and selective thyroid hormone receptor beta (THR-β) agonist for the treatment of MASH
    Journal of Medicinal Chemistry. 2024; 67: 14840-14851. https://doi.org/10.1021/acs.jmedchem.4c01029
    DORA PSI
  • Vantieghem T, Aslam NA, Osipov EM, Akele M, Van Belle S, Beelen S, et al.
    Rational fragment-based design of compounds targeting the PWWP domain of the HRP family
    European Journal of Medicinal Chemistry. 2024; 280: 116960 (17 pp.). https://doi.org/10.1016/j.ejmech.2024.116960
    DORA PSI
  • Varga N, Smieško M, Jiang X, Jakob RP, Wagner B, Mühlethaler T, et al.
    Strengthening an intramolecular non-classical hydrogen bond to get in shape for binding
    Angewandte Chemie International Edition. 2024; 63(42): e202406024 (10 pp.). https://doi.org/10.1002/anie.202406024
    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
  • Wagner B, Smieško M, Jakob RP, Mühlethaler T, Cramer J, Maier T, et al.
    Analogues of the pan-selectin antagonist rivipansel (GMI-1070)
    European Journal of Medicinal Chemistry. 2024; 272: 116455 (12 pp.). https://doi.org/10.1016/j.ejmech.2024.116455
    DORA PSI
  • Wang W, Atherton P, Kreft M, te Molder L, van der Poel S, Hoekman L, et al.
    Caskin2 is a novel talin- and Abi1-binding protein that promotes cell motility
    Journal of Cell Science. 2024; 137(9): jcs262116 (13 pp.). https://doi.org/10.1242/jcs.262116
    DORA PSI
  • Wang D, Miyanaga A, Chisuga T, Kudo F, Eguchi T
    Engineering the substrate specificity of (S)-β-phenylalanine adenylation enzyme HitB
    ChemBioChem. 2024; 25(15): e202400383 (6 pp.). https://doi.org/10.1002/cbic.202400383
    DORA PSI
  • Werner A-D, Krapoth N, Norris MJ, Heine A, Klebe G, Saphire EO, et al.
    Development of a crystallographic screening to identify Sudan virus VP40 ligands
    ACS Omega. 2024; 9(30): 33193-33203. https://doi.org/10.1021/acsomega.4c04829
    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
  • Yagi S, Tagami S
    An ancestral fold reveals the evolutionary link between RNA polymerase and ribosomal proteins
    Nature Communications. 2024; 15(1): 5938 (10 pp.). https://doi.org/10.1038/s41467-024-50013-9
    DORA PSI
  • Yokoyama T, Takayama Y, Mizuguchi M, Nabeshima Y, Kusaka K
    SIRT5 mutants reveal the role of conserved asparagine and glutamine residues in the NAD+-binding pocket
    FEBS Letters. 2024; 598(18): 2269-2280. https://doi.org/10.1002/1873-3468.14961
    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
  • Lindberg MF, Deau E, Miege F, Greverie M, Roche D, George N, et al.
    Chemical, biochemical, cellular, and physiological characterization of Leucettinib-21, a Down Syndrome and Alzheimer’s Disease drug candidate
    Journal of Medicinal Chemistry. 2023; 66(23): 15648-15670. https://doi.org/10.1021/acs.jmedchem.3c01888
    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
  • Reis J, Gorgulla C, Massari M, Marchese S, Valente S, Noce B, et al.
    Targeting ROS production through inhibition of NADPH oxidases
    Nature Chemical Biology. 2023; 19(12): 1540-1550. https://doi.org/10.1038/s41589-023-01457-5
    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; 291: 849-864. 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