Publications

PDB structures measured at X06SA

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

  • 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
  • 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
  • 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. https://doi.org/10.1021/acsmedchemlett.2c00530
    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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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). 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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. 2022. https://doi.org/10.1007/s00706-021-02889-2
    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
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