X06DA PDB Structure Gallery from BioSync
PXIII Publications
Recent publications are listed below. For an extensive overview we kindly refer you to our publication repository DORA
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Atkinson SJ, Bagal SK, Argyrou A, Askin S, Cheung T, Chiarparin E, et al.
Development of a series of pyrrolopyridone MAT2A inhibitors
Journal of Medicinal Chemistry. 2024; 67(6): 4541-4559. https://doi.org/10.1021/acs.jmedchem.3c01860
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Batchelor LK, De Falco L, Dyson PJ, Davey CA
Viral peptide conjugates for metal-warhead delivery to chromatin
RSC Advances. 2024; 14(13): 8718-8725. https://doi.org/10.1039/d4ra01617c
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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
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Compain G, Monsarrat C, Blagojevic J, Brillet K, Dumas P, Hammann P, et al.
Peptide-based covalent inhibitors bearing mild electrophiles to target a conserved his residue of the bacterial sliding clamp
JACS Au. 2024; 4(2): 432-440. https://doi.org/10.1021/jacsau.3c00572
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Corbeski I, Vargas-Rosales PA, Bedi RK, Deng J, Coelho D, Braud E, et al.
The catalytic mechanism of the RNA methyltransferase METTL3
eLife. 2024; 12: RP92537 (27 pp.). https://doi.org/10.7554/eLife.92537
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D'Agostino M, Simonetti A, Motta S, Wolff P, Romagnoli A, Piccinini A, et al.
Crystal structure of archaeal IF5A-DHS complex reveals insights into the hypusination mechanism
Structure. 2024; 32(7): 878-888.e4. https://doi.org/10.1016/j.str.2024.03.008
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Dessin C, Schachtsiek T, Voss J, Abel AC, Neumann B, Stammler HG, et al.
Highly cytotoxic cryptophycin derivatives with modification in unit D for conjugation
Angewandte Chemie International Edition. 2024: e202416210 (13 pp.). https://doi.org/10.1002/anie.202416210
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Engelhardt MU, Zimmermann MO, Dammann M, Stahlecker J, Poso A, Kronenberger T, et al.
Halogen bonding on water─a drop in the ocean?
Journal of Chemical Theory and Computation. 2024; 20(23): 10716-10730. https://doi.org/10.1021/acs.jctc.4c00834
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Fu C, Liu Y, Walt C, Rasheed S, Bader CD, Lukat P, et al.
Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins
Nature Communications. 2024; 15(1): 791 (13 pp.). https://doi.org/10.1038/s41467-024-44953-5
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Galuskin EV, Krüger B, Galuskina IO, Krüger H, Nejbert K, Vapnik Y
Gorerite, CaAlFe11O19, a new mineral of the magnetoplumbite group from the Negev Desert, Israel
Mineralogical Magazine. 2024. https://doi.org/10.1180/mgm.2024.30
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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
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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
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Heine N, Weber A, Pautsch A, Gottschling D, Uphues I, Bauer M, et al.
Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability
Bioorganic and Medicinal Chemistry Letters. 2024; 112: 129930 (9 pp.). https://doi.org/10.1016/j.bmcl.2024.129930
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Hiller M, Diwo M, Wamp S, Gutsmann T, Lang C, Blankenfeldt W, et al.
Structure–function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA
Molecular Microbiology. 2024; 121(3): 497-512. https://doi.org/10.1111/mmi.15201
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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
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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
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Kuhn BT, Zöller J, Zimmermann I, Gemeinhardt T, Özkul DH, Langer JD, et al.
Interdomain-linkers control conformational transitions in the SLC23 elevator transporter UraA
Nature Communications. 2024; 15(1): 7518 (12 pp.). https://doi.org/10.1038/s41467-024-51814-8
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Lotz-Jenne C, Lange R, Cren S, Bourquin G, Goglia L, Kimmerlin T, et al.
Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2
Scientific Reports. 2024; 14(1): 27937 (12 pp.). https://doi.org/10.1038/s41598-024-78981-4
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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
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Mastria R, Riisnaes KJ, Bacon A, Leontis I, Lam HT, Alshehri MAS, et al.
Real time and highly sensitive sub-wavelength 2D hybrid perovskite photodetectors
Advanced Functional Materials. 2024; 34(36): 2401903 (9 pp.). https://doi.org/10.1002/adfm.202401903
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Meinhold S, Zdanowicz R, Giese C, Glockshuber R
Dimerization of a 5-kDa domain defines the architecture of the 5-MDa gammaproteobacterial pyruvate dehydrogenase complex
Science Advances. 2024; 10(6): eadj6358 (17 pp.). https://doi.org/10.1126/sciadv.adj6358
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Montserrat-Gomez M, Gogl G, Carrasco K, Betzi S, Durbesson F, Cousido-Siah A, et al.
PDZome-wide and structural characterization of the PDZ-binding motif of VANGL2
Biochimica et Biophysica Acta: Proteins and Proteomics. 2024; 1872(3): 140989 (17 pp.). https://doi.org/10.1016/j.bbapap.2023.140989
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Mukherjee M, Day PJ, Laverty D, Bueren-Calabuig JA, Woodhead AJ, Griffiths-Jones C, et al.
Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design
Structure. 2024; 32(8): 1040-1048.e3. https://doi.org/10.1016/j.str.2024.05.011
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Müller MC, Lemaire ON, Kurth JM, Welte CU, Wagner T
Differences in regulation mechanisms of glutamine synthetases from methanogenic archaea unveiled by structural investigations
Communications Biology. 2024; 7(1): 111. https://doi.org/10.1038/s42003-023-05726-w
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Münzker L, Kimani SW, Fowkes MM, Dong A, Zheng H, Li Y, et al.
A ligand discovery toolbox for the WWE domain family of human E3 ligases
Communications Biology. 2024; 7(1): 901 (15 pp.). https://doi.org/10.1038/s42003-024-06584-w
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Nalivaiko EY, Vasseur CM, Seebeck FP
Enzyme-catalyzed oxidative degradation of ergothioneine
Angewandte Chemie International Edition. 2024; 63(8): e202318445 (8 pp.). https://doi.org/10.1002/anie.202318445
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Ober VT, Githure GB, Volpato Santos Y, Becker S, Moya Munoz G, Basquin J, et al.
Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens
eLife. 2024; 12: RP91040 (33 pp.). https://doi.org/10.7554/eLife.91040
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Obergfell E, Hohmann U, Moretti A, Chen H, Hothorn M
Mechanistic insights into the function of 14-3-3 proteins as negative regulators of Brassinosteroid signaling in Arabidopsis
Plant and Cell Physiology. 2024; 65(10): 1674-1688. https://doi.org/10.1093/pcp/pcae056
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Palmer N, Agnew C, Benn C, Buffham WJ, Castro JN, Chessari G, et al.
Fragment-based discovery of a series of allosteric-binding site modulators of β-glucocerebrosidase
Journal of Medicinal Chemistry. 2024; 67(13): 11168-11181. https://doi.org/10.1021/acs.jmedchem.4c00702
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Proske M, Janowski R, Bacher S, Kang HS, Monecke T, Koehler T, et al.
PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association
eLife. 2024; 13: RP93561 (27 pp.). https://doi.org/10.7554/eLife.93561
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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
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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
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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
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Vitoria Gomes M, Landwerlin P, Diebold-Durand M-L, Shaik TB, Durand A, Troesch E, et al.
The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains
Cell Reports. 2024; 43(9): 114656 (24 pp.). https://doi.org/10.1016/j.celrep.2024.114656
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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
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Zálešák F, Nai F, Herok M, Bochenkova E, Bedi RK, Li Y, et al.
Structure-based design of a potent and selective YTHDC1 ligand
Journal of Medicinal Chemistry. 2024; 67: 9516-9535. https://doi.org/10.1021/acs.jmedchem.4c00599
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Adam S, Zheng D, Klein A, Volz C, Mullen W, Shirran SL, et al.
Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis
Nature Chemistry. 2023; 15(4): 560-568. https://doi.org/10.1038/s41557-023-01153-w
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Alvarez HA, Cousido-Siah A, Espinosa YR, Podjarny A, Carlevaro CM, Howard E
Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation
Proteins. 2023; 91(11): 1525-1534. https://doi.org/10.1002/prot.26546
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Anso I, Naegeli A, Cifuente JO, Orrantia A, Andersson E, Zenarruzabeitia O, et al.
Turning universal O into rare Bombay type blood
Nature Communications. 2023; 14(1): 1765 (16 pp.). https://doi.org/10.1038/s41467-023-37324-z
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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
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Bashore FM, Marquez AB, Chaikuad A, Howell S, Dunn AS, Beltran AA, et al.
Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis
Scientific Reports. 2023; 13(1): 6118 (17 pp.). https://doi.org/10.1038/s41598-023-32854-4
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Bedi RK, Huang D, Li Y, Caflisch A
Structure-based design of inhibitors of the m6A-RNA writer enzyme METTL3
ACS Bio & Med Chem Au. 2023; 3(4): 359-370. https://doi.org/10.1021/acsbiomedchemau.3c00023
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Billiald P, Slater A, Welin M, Clark JC, Loyau S, Pugnière M, et al.
Targeting platelet GPVI with glenzocimab: a novel mechanism for inhibition
Blood Advances. 2023; 7(7): 1258-1268. https://doi.org/10.1182/bloodadvances.2022007863
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Boiarska Z, Pérez-Peña H, Abel A-C, Marzullo P, Álvarez-Bernad B, Bonato F, et al.
Maytansinol functionalization: towards useful probes for studying microtubule dynamics
Chemistry: A European Journal. 2023; 29(5): e202203431 (12 pp.). https://doi.org/10.1002/chem.202203431
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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
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Bui TYH, De Zitter E, Moeyaert B, Pecqueur L, Srinivasu BY, Economou A, et al.
Oxygen-induced chromophore degradation in the photoswitchable red fluorescent protein rsCherry
International Journal of Biological Macromolecules. 2023; 239: 124179 (9 pp.). https://doi.org/10.1016/j.ijbiomac.2023.124179
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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
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Cadoux C, Ratcliff D, Maslać N, Gu W, Tsakoumagkos I, Hoogendoorn S, et al.
Nitrogen fixation and hydrogen evolution by sterically encumbered Mo-nitrogenase
JACS Au. 2023; 3(5): 1521-1533. https://doi.org/10.1021/jacsau.3c00165
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Cadoux C, Maslać N, Di Luzio L, Ratcliff D, Gu W, Wagner T, et al.
The mononuclear metal-binding site of Mo-nitrogenase is not required for activity
JACS Au. 2023; 3(11): 2993-2999. https://doi.org/10.1021/jacsau.3c00567
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Chandra M, Đaković S, Foti K, Zeelen JP, van Straaten M, Aresta-Branco F, et al.
Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome
PLoS Neglected Tropical Diseases. 2023; 17(2): e0011093 (18 pp.). https://doi.org/10.1371/journal.pntd.0011093
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Chmelova K, Gao T, Polak M, Schenkmayerova A, Croll TI, Shaikh TR, et al.
Multimeric structure of a subfamily III haloalkane dehalogenase‐like enzyme solved by combination of cryo‐EM and x‐ray crystallography
Protein Science. 2023; 32(10): e4751 (22 pp.). https://doi.org/10.1002/pro.4751
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De Simone M, Alvigini L, Alonso-Cotchico L, Brissos V, Caroli J, Lucas MF, et al.
Rationally guided improvement of NOV1 dioxygenase for the conversion of lignin-derived isoeugenol to vanillin
Biochemistry. 2023; 62(2): 419-428. https://doi.org/10.1021/acs.biochem.2c00168
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Denkhaus L, Siffert F, Einsle O
An unusual active site architecture in cytochrome c nitrite reductase NrfA-1 from Geobacter metallireducens
FEMS Microbiology Letters. 2023; 370: 1-8. https://doi.org/10.1093/femsle/fnad068
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Dubey BN, Shyp V, Fucile G, Sondermann H, Jenal U, Schirmer T
Mutant structure of metabolic switch protein in complex with monomeric c-di-GMP reveals a potential mechanism of protein-mediated ligand dimerization
Scientific Reports. 2023; 13(1): 2727 (13 pp.). https://doi.org/10.1038/s41598-023-29110-0
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Díaz-Perlas C, Ricken B, Farrera-Soler L, Guschin D, Pojer F, Lau K, et al.
High-affinity peptides developed against calprotectin and their application as synthetic ligands in diagnostic assays
Nature Communications. 2023; 14(1): 2774 (14 pp.). https://doi.org/10.1038/s41467-023-38075-7
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Dürvanger Z, Juhász T, Liliom K, Harmat V
Structures of calmodulin–melittin complexes show multiple binding modes lacking classical anchoring interactions
Journal of Biological Chemistry. 2023; 299(4): 104596 (15 pp.). https://doi.org/10.1016/j.jbc.2023.104596
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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
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Eichenberger M, Schwander T, Hüppi S, Kreuzer J, Mittl PRE, Peccati F, et al.
The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis
Nature Catalysis. 2023; 6(10): 927-938. https://doi.org/10.1038/s41929-023-01018-y
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Emmert S, Quargnali G, Thallmair S, Rivera-Fuentes P
A locally activatable sensor for robust quantification of organellar glutathione
Nature Chemistry. 2023; 15: 1415-1421. https://doi.org/10.1038/s41557-023-01249-3
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Engrola F, Correia MAS, Watson C, Romão CC, Veiros LF, Romão MJ, et al.
Arsenite oxidase in complex with antimonite and arsenite oxyanions: insights into the catalytic mechanism
Journal of Biological Chemistry. 2023; 299(8): 105036 (9 pp.). https://doi.org/10.1016/j.jbc.2023.105036
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Estiri H, Bhattacharya S, Buitrago JAR, Castagna R, Legzdiņa L, Casucci G, et al.
Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition
Scientific Reports. 2023; 13(1): 18610 (12 pp.). https://doi.org/10.1038/s41598-023-45428-1
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Estévez-Gallego J, Álvarez-Bernad B, Pera B, Wullschleger C, Raes O, Menche D, et al.
Chemical modulation of microtubule structure through the laulimalide/peloruside site
Structure. 2023; 31(1): 88-99.e5. https://doi.org/10.1016/j.str.2022.11.006
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Farnung J, Muhar M, Liang JR, Tolmachova KA, Benoit RM, Corn JE, et al.
Semisynthetic LC3 probes for autophagy pathways reveal a noncanonical LC3 interacting region motif crucial for the enzymatic activity of human ATG3
ACS Central Science. 2023; 9(5): 1025-1034. https://doi.org/10.1021/acscentsci.3c00009
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Gkeka A, Aresta-Branco F, Triller G, Vlachou EP, van Straaten M, Lilic M, et al.
Immunodominant surface epitopes power immune evasion in the African trypanosome
Cell Reports. 2023; 42(3): 112262 (21 pp.). https://doi.org/10.1016/j.celrep.2023.112262
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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
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Greisen PJ, Yi L, Zhou R, Zhou J, Johansson E, Dong T, et al.
Computational design of N‐linked glycans for high throughput epitope profiling
Protein Science. 2023; 32(10): e4726 (11 pp.). https://doi.org/10.1002/pro.4726
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Guo Y, Du X, Krusche J, Beck C, Ali S, Walter A, et al.
Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition
Science Advances. 2023; 9(47): eadj2641 (15 pp.). https://doi.org/10.1126/sciadv.adj2641
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Guo Y, Alvigini L, Saifuddin M, Ashley B, Trajkovic M, Alonso-Cotchico L, et al.
One-pot biocatalytic synthesis of rac-syringaresinol from a lignin-derived phenol
ACS Catalysis. 2023; 13(22): 14639-14649. https://doi.org/10.1021/acscatal.3c04399
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Hamed MM, Abdelsamie AS, Rox K, Schütz C, Kany AM, Röhrig T, et al.
Towards translation of PqsR inverse agonists: from in vitro efficacy optimization to In vivo proof-of-principle
Advanced Science. 2023; 10(5): 2204443 (14 pp.). https://doi.org/10.1002/advs.202204443
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Hamid R, Adam S, Lacour A, Monjas L, Köhnke J, Hirsch AKH
1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding
Journal of Biological Chemistry. 2023; 299(9): 105152 (11 pp.). https://doi.org/10.1016/j.jbc.2023.105152
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Hasyeoui M, Lassagne F, Erb W, Nael M, Elokely KM, Chaikuad A, et al.
Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3α (GSK-3α): Development and impact on temozolomide treatment of glioblastoma cells
Bioorganic Chemistry. 2023; 134: 106456 (18 pp.). https://doi.org/10.1016/j.bioorg.2023.106456
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Igareta NV, Tachibana R, Spiess DC, Peterson RL, Ward TR
Spiers memorial lecture: shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation
Faraday Discussions. 2023; 244: 9-20. https://doi.org/10.1039/d3fd00034f
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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
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Jespersen M, Wagner T
Assimilatory sulfate reduction in the marine methanogen Methanothermococcus thermolithotrophicus
Nature Microbiology. 2023; 8(7): 1227-1239. https://doi.org/10.1038/s41564-023-01398-8
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Jespersen M, Pierik AJ, Wagner T
Structures of the sulfite detoxifying F420-dependent enzyme from Methanococcales
Nature Chemical Biology. 2023; 19: 695-702. https://doi.org/10.1038/s41589-022-01232-y
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Juroszek R, Galuskina I, Krüger B, Krüger H, Vapnik Y, Kahlenberg V, et al.
Minerals with a palmierite-type structure. Part I. Mazorite Ba3(PO4)2, a new mineral from the Hatrurim Complex in Israel
Mineralogical Magazine. 2023; 87(5): 679-689. https://doi.org/10.1180/mgm.2023.57
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Kirchgäßner S, Braun MB, Bartlick N, Koç C, Reinkemeier CD, Lemke EA, et al.
Synthesis, biochemical characterization, and genetic encoding of a 1,2,4-triazole amino acid as an acetyllysine mimic for bromodomains of the BET Family
Angewandte Chemie International Edition. 2023; 62(12): e202215460 (7 pp.). https://doi.org/10.1002/anie.202215460
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Krüger B, Galuskina IO, Galuskin EV, Vapnik Y, Murashko MN
Khurayyimite Ca7Zn4(Si2O7)2(OH)10·4H2O: a mineral with unusual loop-branched sechser single chains
Mineralogy and Petrology. 2023; 117(2): 191-200. https://doi.org/10.1007/s00710-022-00804-z
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Lemaire ON, Belhamri M, Wagner T
Structural and biochemical elucidation of class I hybrid cluster protein natively extracted from a marine methanogenic archaeon
Frontiers in Microbiology. 2023; 14: 1179204 (16 pp.). https://doi.org/10.3389/fmicb.2023.1179204
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Lenza MP, Egia-Mendikute L, Antoñana-Vildosola A, Soares CO, Coelho H, Corzana F, et al.
Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b
Nature Communications. 2023; 14(1): 3496 (14 pp.). https://doi.org/10.1038/s41467-023-39119-8
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Lenza MP, Atxabal U, Nycholat C, Oyenarte I, Franconetti A, Quintana JI, et al.
Structures of the inhibitory receptor siglec-8 in complex with a high-affinity sialoside analogue and a therapeutic antibody
JACS Au. 2023; 3(1): 204-215. https://doi.org/10.1021/jacsau.2c00592
DORA PSI -
Maurer SK, Mayer MP, Ward SJ, Boudjema S, Halawa M, Zhang J, et al.
Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity
Journal of Biological Chemistry. 2023; 299(11): 105300 (15 pp.). https://doi.org/10.1016/j.jbc.2023.105300
DORA PSI -
Nai F, Flores Espinoza MP, Invernizzi A, Vargas-Rosales PA, Bobileva O, Herok M, et al.
Small-molecule inhibitors of the m7G-RNA writer METTL1
ACS Bio & Med Chem Au. 2023; 4(2): 100-110. https://doi.org/10.1021/acsbiomedchemau.3c00030
DORA PSI -
Nemergut M, Marques SM, Uhrik L, Vanova T, Nezvedova M, Gadara DC, et al.
Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer’s disease drug candidate
Molecular Neurodegeneration. 2023; 18(1): 38 (25 pp.). https://doi.org/10.1186/s13024-023-00620-9
DORA PSI -
Nóbrega CS, Carvalho AL, Romão MJ, Pauleta SR
Structural characterization of Neisseria gonorrhoeae bacterial peroxidase-insights into the catalytic cycle of bacterial peroxidases
International Journal of Molecular Sciences. 2023; 24(7): 6246 (21 pp.). https://doi.org/10.3390/ijms24076246
DORA PSI -
Němec V, Khirsariya P, Janovská P, Moyano PM, Maier L, Procházková P, et al.
Discovery of potent and exquisitely selective inhibitors of kinase CK1 with tunable isoform selectivity
Angewandte Chemie International Edition. 2023; 62(11): e202217532 (7 pp.). https://doi.org/10.1002/anie.202217532
DORA PSI -
Personne H, Paschoud T, Fulgencio S, Baeriswyl S, Köhler T, van Delden C, et al.
To fold or not to fold: diastereomeric optimization of an α-helical antimicrobial peptide
Journal of Medicinal Chemistry. 2023; 66(11): 7570-7583. https://doi.org/10.1021/acs.jmedchem.3c00460
DORA PSI -
Prota AE, Lucena-Agell D, Ma Y, Estevez-Gallego J, Li S, Bargsten K, et al.
Structural insight into the stabilization of microtubules by taxanes
eLife. 2023; 12: e84791 (35 pp.). https://doi.org/10.7554/elife.84791
DORA PSI -
Qin B, Li Z, Tang K, Wang T, Xie Y, Aumonier S, et al.
Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target
Nature Communications. 2023; 14(1): 3999 (13 pp.). https://doi.org/10.1038/s41467-023-39709-6
DORA PSI -
Racle J, Guillaume P, Schmidt J, Michaux J, Larabi A, Lau K, et al.
Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes
Immunity. 2023; 56(6): 1359-1375.e13. https://doi.org/10.1016/j.immuni.2023.03.009
DORA PSI -
Rahimova R, Nogaret P, Huteau V, Gelin M, Clément DA, Labesse G, et al.
Structure-based design, synthesis and biological evaluation of a NAD+ analogue targeting Pseudomonas aeruginosa NAD kinase
FEBS Journal. 2023; 290(2): 482-501. https://doi.org/10.1111/febs.16604
DORA PSI -
Rodriguez I, Kocik-Krol J, Skalniak L, Musielak B, Wisniewska A, Ciesiołkiewicz A, et al.
Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies
Molecular Cancer. 2023; 22(1): 150 (8 pp.). https://doi.org/10.1186/s12943-023-01853-4
DORA PSI -
Sahoo PK, Sheenu, Jain D
REC domain stabilizes the active heptamer of σ54-dependent transcription factor, FleR from Pseudomonas aeruginosa
iScience. 2023; 26(12): 108397 (20 pp.). https://doi.org/10.1016/j.isci.2023.108397
DORA PSI -
Sahu S, Ekundayo BE, Kumar A, Bleichert F
A dual role for the chromatin reader ORCA/LRWD1 in targeting the origin recognition complex to chromatin
EMBO Journal. 2023; 42(18): e114654 (24 pp.). https://doi.org/10.15252/embj.2023114654
DORA PSI -
Salgado-Polo F, Borza R, Matsoukas M-T, Marsais F, Jagerschmidt C, Waeckel L, et al.
Autotaxin facilitates selective LPA receptor signaling
Cell Chemical Biology. 2023; 30(1): 69-84.e14. https://doi.org/10.1016/j.chembiol.2022.12.006
DORA PSI -
Schenkmayerova A, Toul M, Pluskal D, Baatallah R, Gagnot G, Pinto GP, et al.
Catalytic mechanism for Renilla-type luciferases
Nature Catalysis. 2023; 6(1): 23-38. https://doi.org/10.1038/s41929-022-00895-z
DORA PSI -
Schwalm MP, Krämer A, Dölle A, Weckesser J, Yu X, Jin J, et al.
Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization
Cell Chemical Biology. 2023; 30(7): 753-765.e8. https://doi.org/10.1016/j.chembiol.2023.06.002
DORA PSI -
Smith KML, Panepucci E, Kaminski JW, Aumonier S, Huang C-Y, Eris D, et al.
SDU - software for high-throughput automated data collection at the Swiss Light Source
Journal of Synchrotron Radiation. 2023; 30: 538-545. https://doi.org/10.1107/S1600577523002631
DORA PSI -
Snajdarova K, Marques SM, Damborsky J, Bednar D, Marek M
Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum
Acta Crystallographica Section D: Structural Biology. 2023; 79(Pt 11): 956-970. https://doi.org/10.1107/S2059798323006642
DORA PSI -
Sorin MN, Di Maio A, Silva LM, Ebert D, Delannoy CP, Nguyen N-K, et al.
Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus
Cell Reports. 2023; 42(2): 112114 (18 pp.). https://doi.org/10.1016/j.celrep.2023.112114
DORA PSI -
Stasiak AC, Gogler K, Borisova M, Fink P, Mayer C, Stehle T, et al.
N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia
Journal of Biological Chemistry. 2023; 299(9): 105076 (13 pp.). https://doi.org/10.1016/j.jbc.2023.105076
DORA PSI -
Stegmann DP, Steuber J, Fritz G, Wojdyla JA, Sharpe ME
Fast fragment and compound screening pipeline at the Swiss Light Source
In: Methods in enzymology. sine loco: Elsevier; 2023:235-284. https://doi.org/10.1016/bs.mie.2023.08.005
DORA PSI -
Takase S, Hiroyama T, Shirai F, Maemoto Y, Nakata A, Arata M, et al.
A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression
Nature Communications. 2023; 14(1): 23 (18 pp.). https://doi.org/10.1038/s41467-022-35404-0
DORA PSI -
Taylor G, Cui H, Leodolter J, Giese C, Weber-Ban E
ClpC2 protects mycobacteria against a natural antibiotic targeting ClpC1-dependent protein degradation
Communications Biology. 2023; 6(1): 301 (13 pp.). https://doi.org/10.1038/s42003-023-04658-9
DORA PSI -
Tinzl M, Diedrich JV, Mittl PRE, Clémancey M, Reiher M, Proppe J, et al.
Myoglobin-catalyzed azide reduction proceeds via an anionic metal amide intermediate
Journal of the American Chemical Society. 2023; 146(3): 1957-1966. https://doi.org/10.1021/jacs.3c09279
DORA PSI -
Triller G, Vlachou EP, Hashemi H, van Straaten M, Zeelen JP, Kelemen Y, et al.
A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl
Cell Reports. 2023; 42(2): 112049 (27 pp.). https://doi.org/10.1016/j.celrep.2023.112049
DORA PSI -
Trncik C, Detemple F, Einsle O
Iron-only Fe-nitrogenase underscores common catalytic principles in biological nitrogen fixation
Nature Catalysis. 2023; 6(5): 415-424. https://doi.org/10.1038/s41929-023-00952-1
DORA PSI -
Vasseur CM, Karunasegaram D, Seebeck FP
Structure and substrate specificity of S-methyl thiourocanate hydratase
ACS Chemical Biology. 2023; 19(3): 718-724. https://doi.org/10.1021/acschembio.3c00745
DORA PSI -
Wang W, Tachibana R, Zou Z, Chen D, Zhang X, Lau K, et al.
Manganese transfer hydrogenases based on the biotin-streptavidin technology
Angewandte Chemie International Edition. 2023; 62(43): e202311896 (8 pp.). https://doi.org/10.1002/anie.202311896
DORA PSI -
Wirtz DA, Schneberger N, Klöppel S, Richarz R, Geyer M, König GM, et al.
Adenylation domain-guided recruitment of trans-acting nonheme monooxygenases in nonribosomal peptide biosynthesis
ACS Chemical Biology. 2023; 18: 1748-1759. https://doi.org/10.1021/acschembio.3c00106
DORA PSI -
Đaković S, Zeelen JP, Gkeka A, Chandra M, van Straaten M, Foti K, et al.
A structural classification of the variant surface glycoproteins of the African trypanosome
PLoS Neglected Tropical Diseases. 2023; 17(9): e0011621 (26 pp.). https://doi.org/10.1371/journal.pntd.0011621
DORA PSI -
Abiko LA, Dias Teixeira R, Engilberge S, Grahl A, Mühlethaler T, Sharpe T, et al.
Filling of a water-free void explains the allosteric regulation of the β1-adrenergic receptor by cholesterol
Nature Chemistry. 2022; 14: 1133-1141. https://doi.org/10.1038/s41557-022-01009-9
DORA PSI -
Alsarraf HMAB, Ung KL, Johansen MD, Dimon J, Olieric V, Kremer L, et al.
Biochemical, structural, and functional studies reveal that MAB_4324c from Mycobacterium abscessus is an active tandem repeat N‐acetyltransferase
FEBS Letters. 2022; 596(12): 1516-1532. https://doi.org/10.1002/1873-3468.14360
DORA PSI -
Bereiter R, Renard E, Breuker K, Kreutz C, Ennifar E, Micura R
1-deazaguanosine-modified RNA: the missing piece for functional RNA atomic mutagenesis
Journal of the American Chemical Society. 2022; 144(23): 10344-10352. https://doi.org/10.1021/jacs.2c01877
DORA PSI -
Biebl MM, Delhommel F, Faust O, Zak KM, Agam G, Guo X, et al.
NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems
Molecular Cell. 2022; 82(3): 555-569.e7. https://doi.org/10.1016/j.molcel.2021.12.031
DORA PSI -
Bleuler-Martinez S, Varrot A, Olieric V, Schubert M, Vogt E, Fetz C, et al.
Structure–function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity
Glycobiology. 2022; 32(7): 600-615. https://doi.org/10.1093/glycob/cwac020
DORA PSI -
Bobrovs R, Basens EE, Drunka L, Kanepe I, Matisone S, Velins KK, et al.
Exploring aspartic protease inhibitor binding to design selective antimalarials
Journal of Chemical Information and Modeling. 2022; 62(13): 3263-3273. https://doi.org/10.1021/acs.jcim.2c00422
DORA PSI -
Bröker J, Waterson AG, Smethurst C, Kessler D, Böttcher J, Mayer M, et al.
Fragment optimization of reversible binding to the switch II pocket on KRAS leads to a potent, in vivo active KRASG12C inhibitor
Journal of Medicinal Chemistry. 2022; 65(21): 14614-14629. https://doi.org/10.1021/acs.jmedchem.2c01120
DORA PSI -
Burnett GL, Yang YC, Aggen JB, Pitzen J, Gliedt MK, Semko CM, et al.
Discovery of RMC-5552, a selective bi-steric inhibitor of mTORC1, for the treatment of mTORC1-activated tumors
Journal of Medicinal Chemistry. 2022; 66(1): 149-169. https://doi.org/10.1021/acs.jmedchem.2c01658
DORA PSI -
Camus A, Truong G, Mittl PRE, Markert G, Hilvert D
Reprogramming nonribosomal peptide synthetases for site-specific insertion of α-hydroxy acids
Journal of the American Chemical Society. 2022; 144(38): 17567-17575. https://doi.org/10.1021/jacs.2c07013
DORA PSI -
Chaikuad A, Zhubi R, Tredup C, Knapp S
Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family
IUCrJ. 2022; 9(6): 720-727. https://doi.org/10.1107/S2052252522008582
DORA PSI -
Chen P, Wojdyla JA, Colasanti O, Li Z, Qin B, Wang M, et al.
Biochemical and structural characterization of hepatitis A virus 2C reveals an unusual ribonuclease activity on single-stranded RNA
Nucleic Acids Research. 2022; 50(16): 9470-9489. https://doi.org/10.1093/nar/gkac671
DORA PSI -
Clark JM, Salgado-Polo F, Macdonald SJF, Barrett TN, Perrakis A, Jamieson C
Structure-based design of a novel class of autotaxin inhibitors based on endogenous allosteric modulators
Journal of Medicinal Chemistry. 2022; 65(8): 6338-6351. https://doi.org/10.1021/acs.jmedchem.2c00368
DORA PSI -
Collu G, Bierig T, Krebs A-S, Engilberge S, Varma N, Guixà-González R, et al.
Chimeric single α-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology
Structure. 2022; 30(1): 95-106. https://doi.org/10.1016/j.str.2021.09.002
DORA PSI -
Conchou L, Doumèche B, Galisson F, Violot S, Dugelay C, Diesis E, et al.
Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium
Communications Biology. 2022; 5(1): 1158 (13 pp.). https://doi.org/10.1038/s42003-022-04091-4
DORA PSI -
Cousido-Siah A, Carneiro L, Kostmann C, Ecsedi P, Nyitray L, Trave G, et al.
A scalable strategy to solve structures of PDZ domains and their complexes
Acta Crystallographica Section D: Structural Biology. 2022; 78: 509-516. https://doi.org/10.1107/S2059798322001784
DORA PSI -
Cullati SN, Chaikuad A, Chen J-S, Gebel J, Tesmer L, Zhubi R, et al.
Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes
Molecular Cell. 2022; 82(11): 2006-2020.e8. https://doi.org/10.1016/j.molcel.2022.03.005
DORA PSI -
Dammann M, Stahlecker J, Zimmermann MO, Klett T, Rotzinger K, Kramer M, et al.
Screening of a Halogen-Enriched Fragment Library leads to unconventional binding modes
Journal of Medicinal Chemistry. 2022; 65(21): 14539-14552. https://doi.org/10.1021/acs.jmedchem.2c00951
DORA PSI -
De Vries T, Martelly W, Campagne S, Sabath K, Sarnowski CP, Wong J, et al.
Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2022; 119(6): e2114092119 (11 pp.). https://doi.org/10.1073/pnas.2114092119
DORA PSI -
Ekström F, Gottinger A, Forsgren N, Catto M, Iacovino LG, Pisani L, et al.
Dual reversible coumarin inhibitors mutually bound to monoamine oxidase B and acetylcholinesterase crystal structures
ACS Medicinal Chemistry Letters. 2022; 13(3): 499-506. https://doi.org/10.1021/acsmedchemlett.2c00001
DORA PSI -
Fraley AE, Dieterich CL, Mabesoone MFJ, Minas HA, Meoded RA, Hemmerling F, et al.
Structure of a promiscuous thioesterase domain responsible for branching acylation in polyketide biosynthesis
Angewandte Chemie International Edition. 2022; 61(39): e202206385 (9 pp.). https://doi.org/10.1002/anie.202206385
DORA PSI -
Fruergaard MU, Dach I, Andersen JL, Ozol M, Shahsavar A, Quistgaard EM, et al.
The Na+,K+-ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state
Journal of Biological Chemistry. 2022; 298(9): 102317 (12 pp.). https://doi.org/10.1016/j.jbc.2022.102317
DORA PSI -
Galazzo L, Meier G, Januliene D, Parey K, De Vecchis D, Striednig B, et al.
The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells
Science Advances. 2022; 8(41): eabn6845 (14 pp.). https://doi.org/10.1126/sciadv.abn6845
DORA PSI -
García-Alija M, Du JJ, Ordóñez I, Diz-Vallenilla A, Moraleda-Montoya A, Sultana N, et al.
Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE
Nature Communications. 2022; 13(1): 1137 (17 pp.). https://doi.org/10.1038/s41467-022-28722-w
DORA PSI -
Gogl G, Zambo B, Kostmann C, Cousido-Siah A, Morlet B, Durbesson F, et al.
Quantitative fragmentomics allow affinity mapping of interactomes
Nature Communications. 2022; 13(1): 5472 (18 pp.). https://doi.org/10.1038/s41467-022-33018-0
DORA PSI -
Hermanns T, Pichlo C, Baumann U, Hofmann K
A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family
Nature Communications. 2022; 13(1): 401 (14 pp.). https://doi.org/10.1038/s41467-022-28049-6
DORA PSI -
Herzog D, Jansen J, Mißun M, Diederichs K, Stengel F, Marx A
Chemical proteomics of the tumor suppressor fhit covalently bound to the cofactor Ap3A elucidates its inhibitory action on translation
Journal of the American Chemical Society. 2022; 144(19): 8613-8623. https://doi.org/10.1021/jacs.2c00815
DORA PSI -
Iacovino LG, Rossi M, Di Stefano G, Rossi V, Binda C, Brigotti M, et al.
Allosteric transitions of rabbit skeletal muscle lactate dehydrogenase induced by pH-dependent dissociation of the tetrameric enzyme
Biochimie. 2022; 199: 23-35. https://doi.org/10.1016/j.biochi.2022.03.008
DORA PSI -
Iijima D, Sugama H, Takahashi Y, Hirai M, Togashi Y, Xie J, et al.
Discovery of SPH3127: a novel, highly potent, and orally active direct renin inhibitor
Journal of Medicinal Chemistry. 2022; 65(16): 10882-10897. https://doi.org/10.1021/acs.jmedchem.2c00834
DORA PSI -
Jones AN, Tikhaia E, Mourão A, Sattler M
Structural effects of m6A modification of the Xist A-repeat AUCG tetraloop and its recognition by YTHDC1
Nucleic Acids Research. 2022; 50(4): 2350-2362. https://doi.org/10.1093/nar/gkac080
DORA PSI -
Juroszek R, Krüger B, Marciniak-Maliszewska B, Ternes B
Minerals of the arctite supergroup from the Bellerberg volcano xenoliths, Germany
Mineralogical Magazine. 2022; 86(6): 929-939. https://doi.org/10.1180/mgm.2022.103
DORA PSI -
Kaminski JW, Vera L, Stegmann DP, Vering J, Eris D, Smith KML, et al.
Fast fragment- and compound-screening pipeline at the Swiss Light Source
Acta Crystallographica Section D: Structural Biology. 2022; 78: 328-336. https://doi.org/10.1107/S2059798322000705
DORA PSI -
Kipnis Y, Chaib AO, Vorobieva AA, Cai G, Reggiano G, Basanta B, et al.
Design and optimization of enzymatic activity in a de novo β-barrel scaffold
Protein Science. 2022; 31(11): e4405 (15 pp.). https://doi.org/10.1002/pro.4405
DORA PSI -
Koda Y, Sato S, Yamamoto H, Niwa H, Watanabe H, Watanabe C, et al.
Design and synthesis of tranylcypromine-derived LSD1 inhibitors with improved hERG and microsomal stability profiles
ACS Medicinal Chemistry Letters. 2022; 13(5): 848-854. https://doi.org/10.1021/acsmedchemlett.2c00120
DORA PSI -
Konietzny PB, Freytag J, Feldhof MI, Müller JC, Ohl D, Stehle T, et al.
Synthesis of homo- and heteromultivalent fucosylated and sialylated oligosaccharide conjugates via preactivated N-methyloxyamine precision macromolecules and their binding to polyomavirus capsid protein
Biomacromolecules. 2022; 23(12): 5273-5284. https://doi.org/10.1021/acs.biomac.2c01092
DORA PSI -
Krämer A, Tjaden A, Ndreshkjana B, Tredup C, Farin HF, Knapp S, et al.
IPP/CNRS-A017: A chemical probe for human dihydroorotate dehydrogenase (hDHODH)
Current Research in Chemical Biology. 2022; 2: 100034 (8 pp.). https://doi.org/10.1016/j.crchbi.2022.100034
DORA PSI -
Lambey P, Otun O, Cong X, Hoh F, Brunel L, Verdié P, et al.
Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins
eLife. 2022; 11: e72555 (29 pp.). https://doi.org/10.7554/eLife.72555
DORA PSI -
Landskron L, Bak J, Adamopoulos A, Kaplani K, Moraiti M, van den Hengel LG, et al.
Posttranslational modification of microtubules by the MATCAP detyrosinase
Science. 2022; 376(6595): abn6020 (13 pp.). https://doi.org/10.1126/science.abn6020
DORA PSI -
Li Y, Bedi RK, Nai F, von Roten V, Dolbois A, Zálešák F, et al.
Structure-based design of ligands of the m6A-RNA reader YTHDC1
European Journal of Medicinal Chemistry Reports. 2022; 5: 100057 (11 pp.). https://doi.org/10.1016/j.ejmcr.2022.100057
DORA PSI -
Mair S, Erharter K, Renard E, Brillet K, Brunner M, Lusser A, et al.
Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA
Nucleic Acids Research. 2022; 50(11): 6038-6051. https://doi.org/10.1093/nar/gkac477
DORA PSI -
Margreiter MA, Witzenberger M, Wasser Y, Davydova E, Janowski R, Metz J, et al.
Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death
Computational and Structural Biotechnology Journal. 2022; 20: 443-458. https://doi.org/10.1016/j.csbj.2021.12.029
DORA PSI -
Marineau JJ, Hamman KB, Hu S, Alnemy S, Mihalich J, Kabro A, et al.
Discovery of SY-5609: a selective, noncovalent inhibitor of CDK7
Journal of Medicinal Chemistry. 2022; 65(2): 1458-1480. https://doi.org/10.1021/acs.jmedchem.1c01171
DORA PSI -
Marzullo P, Boiarska Z, Pérez-Peña H, Abel AC, Álvarez-Bernad B, Lucena-Agell D, et al.
Maytansinol derivatives: side reactions as a chance for new tubulin binders
Chemistry: A European Journal. 2022; 28(2): e202103520 (10 pp.). https://doi.org/10.1002/chem.202103520
DORA PSI -
Maso L, Vascon F, Chinellato M, Goormaghtigh F, Bellio P, Campagnaro E, et al.
Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway
Structure. 2022; 30(11): 1479-1493.e9. https://doi.org/10.1016/j.str.2022.09.004
DORA PSI -
Mayo-Muñoz D, Smith LM, Garcia-Doval C, Malone LM, Harding KR, Jackson SA, et al.
Type III CRISPR-Cas provides resistance against nucleus-forming jumbo phages via abortive infection
Molecular Cell. 2022; 82(23): 4471-4486.e9. https://doi.org/10.1016/j.molcel.2022.10.028
DORA PSI -
Menna M, Fiorentino F, Marrocco B, Lucidi A, Tomassi S, Cilli D, et al.
Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models
European Journal of Medicinal Chemistry. 2022; 237: 114410 (23 pp.). https://doi.org/10.1016/j.ejmech.2022.114410
DORA PSI -
Mertens V, Abi Saad MJ, Coudevylle N, Wälti MA, Finke A, Marsh M, et al.
Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: a straightforward derivation
Journal of Magnetic Resonance Open. 2022; 10-11: 100032 (5 pp.). https://doi.org/10.1016/j.jmro.2022.100032
DORA PSI -
Metzner FJ, Huber E, Hopfner K-P, Lammens K
Structural and biochemical characterization of human Schlafen 5
Nucleic Acids Research. 2022; 50(2): 1147-1161. https://doi.org/10.1093/nar/gkab1278
DORA PSI -
Miller RD, Iinishi A, Modaresi SM, Yoo B-K, Curtis TD, Lariviere PJ, et al.
Computational identification of a systemic antibiotic for gram-negative bacteria
Nature Microbiology. 2022; 7(10): 1661-1672. https://doi.org/10.1038/s41564-022-01227-4
DORA PSI -
Mishra K, Fuenzalida-Werner JP, Pennacchietti F, Janowski R, Chmyrov A, Huang Y, et al.
Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging
Nature Biotechnology. 2022; 40: 598-605. https://doi.org/10.1038/s41587-021-01100-5
DORA PSI -
Muckenfuss LM, Migenda Herranz AC, Boneberg FM, Clerici M, Jinek M
Fip1 is a multivalent interaction scaffold for processing factors in human mRNA 3′ end biogenesis
eLife. 2022; 11: e80332 (29 pp.). https://doi.org/10.7554/eLife.80332
DORA PSI -
Mühlethaler T, Milanos L, Ortega JA, Blum TB, Gioia D, Roy B, et al.
Rational design of a novel tubulin inhibitor with a unique mechanism of action
Angewandte Chemie International Edition. 2022; 61(25): e202204052 (11 pp.). https://doi.org/10.1002/anie.202204052
DORA PSI -
Nai F, Nachawati R, Zálešák F, Wang X, Li Y, Caflisch A
Fragment ligands of the m6A-RNA reader YTHDF2
ACS Medicinal Chemistry Letters. 2022; 13(9): 1500-1509. https://doi.org/10.1021/acsmedchemlett.2c00303
DORA PSI -
Napolitano V, Dabrowska A, Schorpp K, Mourão A, Barreto-Duran E, Benedyk M, et al.
Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses
Cell Chemical Biology. 2022; 29(5): 774-784.e8. https://doi.org/10.1016/j.chembiol.2021.11.006
DORA PSI -
Niwa H, Watanabe C, Sato S, Harada T, Watanabe H, Tabusa R, et al.
Structure-activity relationship and in silico evaluation of cis- and trans-PCPA-derived inhibitors of LSD1 and LSD2
ACS Medicinal Chemistry Letters. 2022; 13(9): 1485-1492. https://doi.org/10.1021/acsmedchemlett.2c00294
DORA PSI -
Pacesa M, Loeff L, Querques I, Muckenfuss LM, Sawicka M, Jinek M
R-loop formation and conformational activation mechanisms of Cas9
Nature. 2022; 609: 191-196. https://doi.org/10.1038/s41586-022-05114-0
DORA PSI -
Pacesa M, Lin C-H, Cléry A, Saha A, Arantes PR, Bargsten K, et al.
Structural basis for Cas9 off-target activity
Cell. 2022; 185(22): 4067-4081.e21. https://doi.org/10.1016/j.cell.2022.09.026
DORA PSI -
Qiao Z, Kong Q, Tee WT, Lim ARQ, Teo MX, Olieric V, et al.
Molecular basis of the key regulator WRINKLED1 in plant oil biosynthesis
Science Advances. 2022; 8(34): eabq1211 (10 pp.). https://doi.org/10.1126/sciadv.abq1211
DORA PSI -
Qin B, Craven GB, Hou P, Chesti J, Lu X, Child ES, et al.
Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease
Acta Pharmaceutica Sinica B. 2022; 12(10): 3924-3933. https://doi.org/10.1016/j.apsb.2022.06.002
DORA PSI -
Ragotte RJ, Pulido D, Lias AM, Quinkert D, Alanine DGW, Jamwal A, et al.
Heterotypic interactions drive antibody synergy against a malaria vaccine candidate
Nature Communications. 2022; 13(1): 933 (12 pp.). https://doi.org/10.1038/s41467-022-28601-4
DORA PSI -
Ramanadane K, Straub MS, Dutzler R, Manatschal C
Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family
eLife. 2022; 11: e74589 (29 pp.). https://doi.org/10.7554/eLife.74589
DORA PSI -
Roman A-O, Jimenez-Sandoval P, Augustin S, Broyart C, Hothorn LA, Santiago J
HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides
Nature Communications. 2022; 13(1): 876 (13 pp.). https://doi.org/10.1038/s41467-022-28558-4
DORA PSI -
Röhrig UF, Majjigapu SR, Vogel P, Reynaud A, Pojer F, Dilek N, et al.
Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors
Journal of Enzyme Inhibition and Medicinal Chemistry. 2022; 37(1): 1773-1811. https://doi.org/10.1080/14756366.2022.2089665
DORA PSI -
Santos MFA, Sciortino G, Correia I, Fernandes ACP, Santos-Silva T, Pisanu F, et al.
Binding of VIVO2+, VIVOL, VIVOL2 and VVO2L moieties to proteins: X-ray/theoretical characterization and biological implications
Chemistry: A European Journal. 2022; 28(40): e202200105 (8 pp.). https://doi.org/10.1002/chem.202200105
DORA PSI -
Scaletti ER, Gustafsson Westergren R, Andersson Y, Wiita E, Henriksson M, Homan EJ, et al.
The first structure of human MTHFD2L and its implications for the development of isoform-selective inhibitors
ChemMedChem. 2022; 17(18): e202200274 (10 pp.). https://doi.org/10.1002/cmdc.202200274
DORA PSI -
Smith CR, Kulyk S, Ahmad MUD, Arkhipova V, Christensen JG, Gunn RJ, et al.
Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits
RSC Medicinal Chemistry. 2022; 13(12): 1549-1564. https://doi.org/10.1039/d2md00163b
DORA PSI -
Stahlecker J, Klett T, Schwer M, Jaag S, Dammann M, Ernst LN, et al.
Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C
RSC Medicinal Chemistry. 2022; 13(12): 1557-1586. https://doi.org/10.1039/d2md00246a
DORA PSI -
Tan YB, Lello L S, Liu X, Law Y-S, Kang C, Lescar J, et al.
Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold
Nucleic Acids Research. 2022; 50(2): 1000-1016. https://doi.org/10.1093/nar/gkab1302
DORA PSI -
Tittes YU, Herbst DA, Martin SFX, Munoz-Hernandez H, Jakob RP, Maier T
The structure of a polyketide synthase bimodule core
Science Advances. 2022; 8(38): eabo6918 (9 pp.). https://doi.org/10.1126/sciadv.abo6918
DORA PSI -
Veggi D, Malito E, Lo Surdo P, Pansegrau W, Rippa V, Wahome N, et al.
Structural characterization of a cross-protective natural chimera of factor H binding protein from meningococcal serogroup B strain NL096
Computational and Structural Biotechnology Journal. 2022; 20: 2070-2081. https://doi.org/10.1016/j.csbj.2022.04.011
DORA PSI -
Voss M, Hüppi S, Schaub D, Hayashi T, Ligibel M, Sager E, et al.
Enzyme engineering enables inversion of substrate stereopreference of the halogenase WelO5*
ChemCatChem. 2022; 14(24): e202201115 (7 pp.). https://doi.org/10.1002/cctc.202201115
DORA PSI -
Walvekar VA, Ramesh K, Jobichen C, Kannan M, Sivaraman J, Kini RM, et al.
Crystal structure of Aedes aegypti trypsin inhibitor in complex with μ-plasmin reveals role for scaffold stability in Kazal-type serine protease inhibitor
Protein Science. 2022; 31(2): 470-484. https://doi.org/10.1002/pro.4245
DORA PSI -
Wang L, Moreira EA, Kempf G, Miyake Y, Oliveira Esteves BI, Fahmi A, et al.
Disrupting the HDAC6-ubiquitin interaction impairs infection by influenza and Zika virus and cellular stress pathways
Cell Reports. 2022; 39(4): 110736 (20 pp.). https://doi.org/10.1016/j.celrep.2022.110736
DORA PSI -
Zeinyeh W, Esvan YJ, Josselin B, Defois M, Baratte B, Knapp S, et al.
Synthesis and biological evaluation of Haspin inhibitors: Kinase inhibitory potency and cellular activity
European Journal of Medicinal Chemistry. 2022; 236: 114369 (11 pp.). https://doi.org/10.1016/j.ejmech.2022.114369
DORA PSI -
Zetterberg FR, MacKinnon A, Brimert T, Gravelle L, Johnsson RE, Kahl-Knutson B, et al.
Discovery and optimization of the first highly effective and orally available galectin-3 inhibitors for treatment of fibrotic disease
Journal of Medicinal Chemistry. 2022; 65(19): 12626-12638. https://doi.org/10.1021/acs.jmedchem.2c00660
DORA PSI -
Zhang C, Yang F, Wojdyla JA, Qin B, Zhang W, Zheng M, et al.
An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein
Cell Reports. 2022; 40(1): 111030 (21 pp.). https://doi.org/10.1016/j.celrep.2022.111030
DORA PSI -
de la Roche NM, Mühlethaler T, Di Martino RMC, Ortega JA, Gioia D, Roy B, et al.
Novel fragment-derived colchicine-site binders as microtubule-destabilizing agents
European Journal of Medicinal Chemistry. 2022; 241: 114614 (12 pp.). https://doi.org/10.1016/j.ejmech.2022.114614
DORA PSI -
Abraham ET, Oecal S, Mörgelin M, Schmid PWN, Buchner J, Baumann U, et al.
Collagen's primary structure determines collagen:HSP47 complex stoichiometry
Journal of Biological Chemistry. 2021; 297(6): 101169 (13 pp.). https://doi.org/10.1016/j.jbc.2021.101169
DORA PSI -
Abrami L, Audagnotto M, Ho S, Marcaida MJ, Mesquita FS, Anwar MU, et al.
Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains
Nature Chemical Biology. 2021; 17(4): 438-447. https://doi.org/10.1038/s41589-021-00753-2
DORA PSI -
Adhireksan Z, Sharma D, Lee PL, Bao Q, Padavattan S, Shum WK, et al.
Engineering nucleosomes for generating diverse chromatin assemblies
Nucleic Acids Research. 2021; 49(9): E52 (12 pp.). https://doi.org/10.1093/nar/gkab070
DORA PSI -
Aeschimann W, Kammer S, Staats S, Schneider P, Schneider G, Rimbach G, et al.
Engineering of a functional γ-tocopherol transfer protein
Redox Biology. 2021; 38: 101773 (11 pp.). https://doi.org/10.1016/j.redox.2020.101773
DORA PSI -
Alali A, Zhang L, Li J, Zuo C, Wassouf D, Yan X, et al.
Biosynthesis of the tricyclic aromatic type II polyketide rishirilide: new potential third ring oxygenation after three cyclization steps
Molecular Biotechnology. 2021; 23: 502-514. https://doi.org/10.1007/s12033-021-00314-x
DORA PSI -
Alvigini L, Gran-Scheuch A, Guo Y, Trajkovic M, Saifuddin M, Fraaije MW, et al.
Discovery, biocatalytic exploration and structural analysis of a 4-ethylphenol oxidase from Gulosibacter chungangensis
ChemBioChem. 2021; 22(22): 3225-3233. https://doi.org/10.1002/cbic.202100457
DORA PSI -
Axer A, Jumde RP, Adam S, Faust A, Schäfers M, Fobker M, et al.
Enhancing glycan stability via site-selective fluorination: modulating substrate orientation by molecular design
Chemical Science. 2021; 12(4): 1286-1294. https://doi.org/10.1039/D0SC04297H
DORA PSI -
Baeriswyl S, Personne H, Di Bonaventura I, Köhler T, Van Delden C, Stocker A, et al.
A mixed chirality α-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography
RSC Chemical Biology. 2021; 2(6): 1608-1617. https://doi.org/10.1039/d1cb00124h
DORA PSI -
Bailleul G, Nicoll CR, Mascotti ML, Mattevi A, Fraaije MW
Ancestral reconstruction of mammalian FMO1 enables structural determination, revealing unique features that explain its catalytic properties
Journal of Biological Chemistry. 2021; 296: 100221 (13 pp.). https://doi.org/10.1074/jbc.RA120.016297
DORA PSI -
Banaś AM, Bocian-Ostrzycka KM, Dunin-Horkawicz S, Ludwiczak J, Wilk P, Orlikowska M, et al.
Interplay between DsbA1, DsbA2 and C8J_1298 periplasmic oxidoreductases of Campylobacter jejuni and their impact on bacterial physiology and pathogenesis
International Journal of Molecular Sciences. 2021; 22(24): 13451 (37 pp.). https://doi.org/10.3390/ijms222413451
DORA PSI -
Basler S, Studer S, Zou Y, Mori T, Ota Y, Camus A, et al.
Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold
Nature Chemistry. 2021; 13(3): 231-235. https://doi.org/10.1038/s41557-020-00628-4
DORA PSI -
Bauer V, Schmidtgall B, Gógl G, Dolenc J, Osz J, Nominé Y, et al.
Conformational editing of intrinsically disordered protein by α-methylation
Chemical Science. 2021; 12(3): 1080-1089. https://doi.org/10.1039/D0SC04482B
DORA PSI -
Brullo C, Rapetti F, Abbate S, Prosdocimi T, Torretta A, Semrau M, et al.
Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors
European Journal of Medicinal Chemistry. 2021; 223: 113638 (13 pp.). https://doi.org/10.1016/j.ejmech.2021.113638
DORA PSI