Publications
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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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
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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. https://doi.org/10.1039/D0SC04482B
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Chaoprasid P, Lukat P, Mühlen S, Heidler T, Gazdag E-M, Dong S, et al.
Crystal structure of bacterial cytotoxic necrotizing factor CNFY reveals molecular building blocks for intoxication
EMBO Journal. 2021; 40(4): e105202 (21 pp.). https://doi.org/10.15252/embj.2020105202
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Conrady MC, Suarez I, Gogl G, Frecot DI, Bonhoure A, Kostmann C, et al.
Structure of high-risk papillomavirus 31 E6 oncogenic protein and characterization of E6/E6AP/p53 complex formation
Journal of Virology. 2021; 95(2): e00730-20 (15 pp.). https://doi.org/10.1128/JVI.00730-20
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Johansson E, Wu X, Yu B, Yang Z, Cao Z, Wiberg C, et al.
Insulin binding to the analytical antibody sandwich pair OXI‐005 and HUI‐018: epitope mapping and binding properties
Protein Science. 2021; 30(2): 485-496. https://doi.org/10.1002/pro.4009
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Kröger P, Shanmugaratnam S, Ferruz N, Schweimer K, Höcker B
A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF
Structure. 2021. https://doi.org/10.1016/j.str.2020.12.005
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Lemaire ON, Wagner T
Gas channel rerouting in a primordial enzyme: structural insights of the carbon-monoxide dehydrogenase/acetyl-CoA synthase complex from the acetogen Clostridium autoethanogenum
Biochimica et Biophysica Acta: Bioenergetics. 2021; 1862(1): 148330 (14 pp.). https://doi.org/10.1016/j.bbabio.2020.148330
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Li Y, Bedi RK, Wiedmer L, Sun X, Huang D, Caflisch A
Atomistic and thermodynamic analysis of N6-methyladenosine (m6A) recognition by the reader domain of YTHDC1
Journal of Chemical Theory and Computation. 2021. https://doi.org/10.1021/acs.jctc.0c01136
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Ostertag E, Zheng L, Broger K, Stehle T, Li S-M, Zocher G
Reprogramming substrate and catalytic promiscuity of tryptophan prenyltransferases
Journal of Molecular Biology. 2021; 433(2): 166726 (14 pp.). https://doi.org/10.1016/j.jmb.2020.11.025
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Persson BD, John L, Rafie K, Strebl M, Frängsmyr L, Ballmann MZ, et al.
Human species D adenovirus hexon capsid protein mediates cell entry through a direct interaction with CD46
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2021; 118(3): e2020732118 (8 pp.). https://doi.org/10.1073/pnas.2020732118
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Ried MK, Wild R, Zhu J, Pipercevic J, Sturm K, Broger L, et al.
Inositol pyrophosphates promote the interaction of SPX domains with the coiled-coil motif of PHR transcription factors to regulate plant phosphate homeostasis
Nature Communications. 2021; 12: 348 (13 pp.). https://doi.org/10.1038/s41467-020-20681-4
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Röhrig UF, Majjigapu SR, Reynaud A, Pojer F, Dilek N, Reichenbach P, et al.
Azole-based indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors
Journal of Medicinal Chemistry. 2021; 64(4): 2205-2227. https://doi.org/10.1021/acs.jmedchem.0c01968
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Schnitzler A, Niefind K
Structural basis for the design of bisubstrate inhibitors of protein kinase CK2 provided by complex structures with the substrate-competitive inhibitor heparin
European Journal of Medicinal Chemistry. 2021; 214: 113223 (9 pp.). https://doi.org/10.1016/j.ejmech.2021.113223
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Shyp V, Dubey BN, Böhm R, Hartl J, Nesper J, Vorholt JA, et al.
Reciprocal growth control by competitive binding of nucleotide second messengers to a metabolic switch in Caulobacter crescentus
Nature Microbiology. 2021; 6(1): 59-72. https://doi.org/10.1038/s41564-020-00809-4
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Signor L, Paris T, Mas C, Picard A, Lutfalla G, Boeri Erba E, et al.
Divalent cations influence the dimerization mode of murine S100A9 protein by modulating its disulfide bond pattern
Journal of Structural Biology. 2021; 213(1): 107689 (16 pp.). https://doi.org/10.1016/j.jsb.2020.107689
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Wells CI, Drewry DH, Pickett JE, Tjaden A, Krämer A, Müller S, et al.
Development of a potent and selective chemical probe for the pleiotropic kinase CK2
Cell Chemical Biology. 2021. https://doi.org/10.1016/j.chembiol.2020.12.013
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Yang C, Sesterhenn F, Bonet J, van Aalen EA, Scheller L, Abriata LA, et al.
Bottom-up de novo design of functional proteins with complex structural features
Nature Chemical Biology. 2021. https://doi.org/10.1038/s41589-020-00699-x
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Zhang L, Bill E, Kroneck PMH, Einsle O
A [3Cu:2S] cluster provides insight into the assembly and function of the CuZ site of nitrous oxide reductase
Chemical Science. 2021. https://doi.org/10.1039/D0SC05204C
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Zhang L, Bill E, Kroneck PMH, Einsle O
Histidine-gated proton-coupled electron transfer to the CuA site of nitrous oxide reductase
Journal of the American Chemical Society. 2021; 143(2): 830-838. https://doi.org/10.1021/jacs.0c10057
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Adhireksan Z, Sharma D, Lee PL, Davey CA
Near-atomic resolution structures of interdigitated nucleosome fibres
Nature Communications. 2020; 11(1): 4747 (13 pp.). https://doi.org/10.1038/s41467-020-18533-2
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Arnold FM, Weber MS, Gonda I, Gallenito MJ, Adenau S, Egloff P, et al.
The ABC exporter IrtAB imports and reduces mycobacterial siderophores
Nature. 2020; 580(7803): 413-417. https://doi.org/10.1038/s41586-020-2136-9
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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. 2020. https://doi.org/10.1039/D0SC04297H
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Bakonyi D, Toelzer C, Stricker M, Hummel W, Niefind K, Gröger H
Expanding the application range of microbial oxidoreductases by an alcohol dehydrogenase from Comamonas testosteroni with a broad substrate spectrum and pH profile
Catalysts. 2020; 10(11): 1281 (14 pp.). https://doi.org/10.3390/catal10111281
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Bedi RK, Huang D, Wiedmer L, Li Y, Dolbois A, Wojdyla JA, et al.
Selectively disrupting m6A-dependent protein-RNA interactions with fragments
ACS Chemical Biology. 2020; 15(3): 618-625. https://doi.org/10.1021/acschembio.9b00894
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Bedi RK, Huang D, Eberle SA, Wiedmer L, Śledź P, Caflisch A
Small-molecule inhibitors of METTL3, the major human epitranscriptomic writer
ChemMedChem. 2020; 15(9): 744-748. https://doi.org/10.1002/cmdc.202000011
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Binas O, Tants J-N, Peter SA, Janowski R, Davydova E, Braun J, et al.
Structural basis for the recognition of transiently structured AU-rich elements by Roquin
Nucleic Acids Research. 2020; 48(13): 7385-7403. https://doi.org/10.1093/nar/gkaa465
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Boon M, De Zitter E, De Smet J, Wagemans J, Voet M, Pennemann FL, et al.
'Drc', a structurally novel ssDNA-binding transcription regulator of N4-related bacterial viruses
Nucleic Acids Research. 2020; 48(1): 445-459. https://doi.org/10.1093/nar/gkz1048
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Brams M, Govaerts C, Kambara K, Price KL, Spurny R, Gharpure A, et al.
Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT3 receptor via a common vestibule site
eLife. 2020; 9: e51511 (19 pp.). https://doi.org/10.7554/eLife.51511
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Braun NJ, Quek JP, Huber S, Kouretova J, Rogge D, Lang-Henkel H, et al.
Structure-based macrocyclization of substrate analogue NS2B-NS3 protease inhibitors of Zika, West Nile and dengue viruses
ChemMedChem. 2020; 15(15): 1439-1452. https://doi.org/10.1002/cmdc.202000237
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Busetto V, Barbosa I, Basquin J, Marquenet É, Hocq R, Hennion M, et al.
Structural and functional insights into CWC27/CWC22 heterodimer linking the exon junction complex to spliceosomes
Nucleic Acids Research. 2020; 48(10): 5670-5683. https://doi.org/10.1093/nar/gkaa267
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Caldwell SJ, Haydon IC, Piperidou N, Huang P-S, Bick MJ, Sjöström HS, et al.
Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(48): 30362-30369. https://doi.org/10.1073/pnas.2008535117
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Chiniadis L, Bratsos I, Bethanis K, Karpusas M, Giastas P, Papakyriakou A
High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K
Journal of Biological Inorganic Chemistry. 2020; 25: 635-645. https://doi.org/10.1007/s00775-020-01786-z
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Cinquino M, Polimeno L, Lerario G, De Giorgi M, Moliterni A, Olieric V, et al.
One-step synthesis at room temperature of low dimensional perovskite single crystals with high optical quality
Journal of Luminescence. 2020; 221: 117079 (8 pp.). https://doi.org/10.1016/j.jlumin.2020.117079
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Cottee MA, Letham SC, Young GR, Stoye JP, Taylor IA
Structure of Drosophila melanogaster ARC1 reveals a repurposed molecule with characteristics of retroviral Gag
Science Advances. 2020; 6(1): eaay6354 (12 pp.). https://doi.org/10.1126/sciadv.aay6354
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Dolbois A, Batiste L, Wiedmer L, Dong J, Brütsch M, Huang D, et al.
Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
ACS Medicinal Chemistry Letters. 2020; 11(8): 1573-1580. https://doi.org/10.1021/acsmedchemlett.0c00080
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Draxler SW, Bauer M, Eickmeier C, Nadal S, Nar H, Rangel Rojas D, et al.
Hybrid screening approach for very small fragments: X-ray and computational screening on FKBP51
Journal of Medicinal Chemistry. 2020; 63(11): 5856-5864. https://doi.org/10.1021/acs.jmedchem.0c00120
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Duarte DP, Lamontanara AJ, La Sala G, Jeong S, Sohn Y-K, Panjkovich A, et al.
Btk SH2-kinase interface is critical for allosteric kinase activation and its targeting inhibits B-cell neoplasms
Nature Communications. 2020; 11(1): 2319 (15 pp.). https://doi.org/10.1038/s41467-020-16128-5
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Dubey BN, Agustoni E, Böhm R, Kaczmarczyk A, Mangia F, von Arx C, et al.
Hybrid histidine kinase activation by cyclic di-GMP-mediated domain liberation
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(2): 1000-1008. https://doi.org/10.1073/pnas.1911427117
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Ebenhoch R, Prinz S, Kaltwasser S, Mills DJ, Meinecke R, Rübbelke M, et al.
A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(50): 31838-31849. https://doi.org/10.1073/pnas.2013473117
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Ecsédi P, Gógl G, Hóf H, Kiss B, Harmat V, Nyitray L
Structure determination of the transactivation domain of p53 in complex with S100A4 using annexin A2 as a crystallization chaperone
Structure. 2020; 28(8): 943-953. https://doi.org/10.1016/j.str.2020.05.001
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Ernst P, Zosel F, Reichen C, Nettels D, Schuler B, Plückthun A
Structure-guided design of a peptide lock for modular peptide binders
ACS Chemical Biology. 2020; 15(2): 457-468. https://doi.org/10.1021/acschembio.9b00928
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Flecken M, Wang H, Popilka L, Hartl FU, Bracher A, Hayer-Hartl M
Dual functions of a Rubisco activase in metabolic repair and recruitment to carboxysomes
Cell. 2020; 183(2): 457-473.e8. https://doi.org/10.1016/j.cell.2020.09.010
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Fuenzalida Werner JP, Huang Y, Mishra K, Janowski R, Vetschera P, Heichler C, et al.
Challenging a preconception: Optoacoustic spectrum differs from the optical absorption spectrum of proteins and dyes for molecular imaging
Analytical Chemistry. 2020; 92(15): 10717-10724. https://doi.org/10.1021/acs.analchem.0c01902
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Gao X, Zhu K, Wojdyl JA, Chen P, Qin B, Li Z, et al.
Crystal structure of the NS3-like helicase from Alongshan virus
IUCrJ. 2020; 7(3): 375-382. https://doi.org/10.1107/S2052252520003632
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Garcia-Doval C, Schwede F, Berk C, Rostøl JT, Niewoehner O, Tejero O, et al.
Activation and self-inactivation mechanisms of the cyclic oligoadenylate-dependent CRISPR ribonuclease Csm6
Nature Communications. 2020; 11(1): 1596 (9 pp.). https://doi.org/10.1038/s41467-020-15334-5
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Gharbi-Ayachi A, Santhanakrishnan S, Wong YH, Chan KWK, Tan ST, Bates RW, et al.
Non-nucleoside inhibitors of Zika virus RNA-dependent RNA polymerase
Journal of Virology. 2020; 94(21): e00794-20 (18 pp.). https://doi.org/10.1128/JVI.00794-20
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Gogl G, Jane P, Caillet-Saguy C, Kostmann C, Bich G, Cousido-Siah A, et al.
Dual specificity PDZ- and 14-3-3-binding motifs: a structural and interactomics study
Structure. 2020; 28(7): 747-759.e3. https://doi.org/10.1016/j.str.2020.03.010
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Grob P, Huber M, Walla B, Hermann J, Janowski R, Niessing D, et al.
Crystal contact engineering enables efficient capture and purification of an oxidoreductase by technical crystallization
Biotechnology Journal. 2020; 15(11): 2000010 (8 pp.). https://doi.org/10.1002/biot.202000010
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Grädler U, Busch M, Leuthner B, Raba M, Burgdorf L, Lehmann M, et al.
Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors
Bioorganic and Medicinal Chemistry Letters. 2020; 30(22): 127551 (10 pp.). https://doi.org/10.1016/j.bmcl.2020.127551
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Gstir T, Kahlenberg V, Krüger H, Penner S
Synthesis and crystal structure of ABW-type SrFe1.40V0.60O4
Acta Crystallographica Section E: Crystallographic Communications. 2020; 76: 664-667.sup-5. https://doi.org/10.1107/S205698902000496X
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Guo B, Rodriguez-Gabin A, Prota AE, Mühlethaler T, Zhang N, Ye K, et al.
Structural refinement of the tubulin ligand (+)-discodermolide to attenuate chemotherapy-mediated senescence
Molecular Pharmacology. 2020; 98(2): 156-167. https://doi.org/10.1124/mol.119.117457
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Hanke T, Cheung S-Y, Kilu W, Heering J, Ni X, Planz V, et al.
A selective modulator of peroxisome proliferator-activated receptor γ with an unprecedented binding mode
Journal of Medicinal Chemistry. 2020; 63(9): 4555-4561. https://doi.org/10.1021/acs.jmedchem.9b01786
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Heddi B, Cheong VV, Schmitt E, Mechulam Y, Phan AT
Recognition of different base tetrads by RHAU (DHX36): X-ray crystal structure of the G4 recognition motif bound to the 3′-end tetrad of a DNA G-quadruplex
Journal of Structural Biology. 2020; 209(1): 107399 (8 pp.). https://doi.org/10.1016/j.jsb.2019.10.001
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Hemu X, El Sahili A, Hu S, Zhang X, Serra A, Goh BC, et al.
Turning an asparaginyl endopeptidase into a peptide ligase
ACS Catalysis. 2020; 10(15): 8825-8834. https://doi.org/10.1021/acscatal.0c02078
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Himmelstoß M, Erharter K, Renard E, Ennifar E, Kreutz C, Micura R
2′-O-trifluoromethylated RNA - a powerful modification for RNA chemistry and NMR spectroscopy
Chemical Science. 2020; 11(41): 11322-11330. https://doi.org/10.1039/d0sc04520a
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Hochstrasser R, Hutter CAJ, Arnold FM, Bärlocher K, Seeger MA, Hilbi H
The structure of the Legionella response regulator LqsR reveals amino acids critical for phosphorylation and dimerization
Molecular Microbiology. 2020; 113(6): 1070-1084. https://doi.org/10.1111/mmi.14477
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Hofmann R, Akimoto G, Wucherpfennig TG, Zeymer C, Bode JW
Lysine acylation using conjugating enzymes for site-specific modification and ubiquitination of recombinant proteins
Nature Chemistry. 2020; 12(11): 1008-1015. https://doi.org/10.1038/s41557-020-0528-y
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Hu Z, Wang C, Sitkoff D, Cheadle NL, Xu S, Muckelbauer JK, et al.
Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors
Bioorganic and Medicinal Chemistry Letters. 2020; 30(21): 127474 (6 pp.). https://doi.org/10.1016/j.bmcl.2020.127474
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Hubálek F, Refsgaard HHF, Gram-Nielsen S, Madsen P, Nishimura E, Münzel M, et al.
Molecular engineering of safe and efficacious oral basal insulin
Nature Communications. 2020; 11(1): 3746 (9 pp.). https://doi.org/10.1038/s41467-020-17487-9
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Johansson E, Nielsen AD, Demuth H, Wiberg C, Schjødt CB, Huang T, et al.
Identification of binding sites on human serum albumin for somapacitan, a long-acting growth hormone derivative
Biochemistry. 2020; 59(14): 1410-1419. https://doi.org/10.1021/acs.biochem.0c00019
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Juroszek R, Krüger B, Galuskina I, Krüger H, Vapnik Y, Galuskin E
Siwaqaite, Ca6Al2(CrO4)3(OH)12·26H2O, a new mineral of the ettringite group from the pyrometamorphic Daba-Siwaqa complex, Jordan
American Mineralogist. 2020; 105(3): 409-421. https://doi.org/10.2138/am-2020-7208
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Kanamaru S, Uchida K, Nemoto M, Fraser A, Arisaka F, Leiman PG
Structure and function of the T4 spackle protein Gp61.3
Viruses. 2020; 12(10): 1070 (21 pp.). https://doi.org/10.3390/v12101070
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Kanja M, Cappy P, Levy N, Oladosu O, Schmidt S, Rossolillo P, et al.
NKNK: A new essential motif in the C-terminal domain of HIV-1 group M integrases
Journal of Virology. 2020; 94(20): e01035-20 (23 pp.). https://doi.org/10.1128/JVI.01035-20
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Karakus U, Sahin D, Mittl PRE, Mooij P, Koopman G, Boyman O
Receptor-gated IL-2 delivery by an anti-human IL-2 antibody activates regulatory T cells in three different species
Science Translational Medicine. 2020; 12(574): eabb9283 (16 pp.). https://doi.org/10.1126/scitranslmed.abb9283
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Kassube SA, Thomä NH
Structural insights into Fe–S protein biogenesis by the CIA targeting complex
Nature Structural and Molecular Biology. 2020; 27: 735-742. https://doi.org/10.1038/s41594-020-0454-0
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Kessler D, Bergner A, Böttcher J, Fischer G, Döbel S, Hinkel M, et al.
Drugging all RAS isoforms with one pocket
Future Medicinal Chemistry. 2020; 12(21): 1911-1923. https://doi.org/10.4155/fmc-2020-0221
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Kneuttinger AC, Rajendran C, Simeth NA, Bruckmann A, König B, Sterner R
Significance of the protein interface configuration for allostery in imidazole glycerol phosphate synthase
Biochemistry. 2020; 59(29): 2729-2742. https://doi.org/10.1021/acs.biochem.0c00332
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Koiwai K, Inaba K, Morohashi K, Enya S, Arai R, Kojima H, et al.
An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo
Journal of Biological Chemistry. 2020; 295(20): 7154-7167. https://doi.org/10.1074/jbc.RA119.011463
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Kong X-D, Moriya J, Carle V, Pojer F, Abriata LA, Deyle K, et al.
De novo development of proteolytically resistant therapeutic peptides for oral administration
Nature Biomedical Engineering. 2020; 4(5): 560-571. https://doi.org/10.1038/s41551-020-0556-3
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Krausze J, Hercher TW, Archna A, Kruse T
The structure of the Moco carrier protein from Rippkaea orientalis
Acta Crystallographica Section F: Structural Biology and Crystallization Communications. 2020; 76(9): 453-463. https://doi.org/10.1107/S2053230X20011073
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Kries H, Bloch JS, Bunzel HA, Pinkas DM, Hilvert D
Contribution of oxyanion stabilization to kemp eliminase efficiency
ACS Catalysis. 2020; 10(8): 4460-4464. https://doi.org/10.1021/acscatal.0c00575
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Küssau T, Van Wyk N, Johansen MD, Alsarraf HMAB, Neyret A, Hamela C, et al.
Functional characterization of the N-acetylmuramyl-L-alanine amidase, ami1, from Mycobacterium abscessus
Cells. 2020; 9(11): 2410 (25 pp.). https://doi.org/10.3390/cells9112410
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La Sala G, Michiels C, Kükenshöner T, Brandstoetter T, Maurer B, Koide A, et al.
Selective inhibition of STAT3 signaling using monobodies targeting the coiled-coil and N-terminal domains
Nature Communications. 2020; 11(1): 4115 (16 pp.). https://doi.org/10.1038/s41467-020-17920-z
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Larson ET, Brennan DL, Hickey ER, Ganesan R, Kroe‐Barrett R, Farrow NA
X-ray crystal structure localizes the mechanism of inhibition of an IL-36R antagonist monoclonal antibody to interaction with Ig1 and Ig2 extra cellular domains
Protein Science. 2020; 29(7): 1679-1686. https://doi.org/10.1002/pro.3862
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Li Y, Bedi RK, Moroz-Omori EV, Caflisch A
Structural and dynamic insights into redundant function of YTHDF proteins
Journal of Chemical Information and Modeling. 2020. https://doi.org/10.1021/acs.jcim.0c01029
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Lindenblatt D, Nickelsen A, Applegate VM, Jose J, Niefind K
Structural and mechanistic basis of the inhibitory potency of selected 2-aminothiazole compounds on protein kinase CK2
Journal of Medicinal Chemistry. 2020; 63(14): 7766-7772. https://doi.org/10.1021/acs.jmedchem.0c00587
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Ma B, Lucas B, Capacci A, Lin EY-S, Jones JH, Dechantsreiter M, et al.
Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators
Bioorganic and Medicinal Chemistry Letters. 2020; 30(4): 126852 (8 pp.). https://doi.org/10.1016/j.bmcl.2019.126852
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Marasco M, Berteotti A, Weyershaeuser J, Thorausch N, Sikorska J, Krausze J, et al.
Molecular mechanism of SHP2 activation by PD-1 stimulation
Science Advances. 2020; 6(5): eaay4458 (15 pp.). https://doi.org/10.1126/sciadv.aay4458
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Marcotte DJ, Spilker KA, Wen D, Hesson T, Patterson TA, Rajesh Kumar P, et al.
The crystal structure of the catalytic domain of tau tubulin kinase 2 in complex with a small-molecule inhibitor
Acta Crystallographica Section F: Structural Biology and Crystallization Communications. 2020; 76: 103-108. https://doi.org/10.1107/S2053230X2000031X
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Marleaux M, Anand K, Latz E, Geyer M
Crystal structure of the human NLRP9 pyrin domain suggests a distinct mode of inflammasome assembly
FEBS Letters. 2020; 594(15): 2383-2395. https://doi.org/10.1002/1873-3468.13865
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Martiel I, Buntschu D, Meier N, Gobbo A, Panepucci E, Schneider R, et al.
The TELL automatic sample changer for macromolecular crystallography
Journal of Synchrotron Radiation. 2020; 27: 860-863. https://doi.org/10.1107/S1600577520002416
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Martínez-Viturro CM, Trabanco AA, Royes J, Fernández E, Tresadern G, Vega JA, et al.
Diazaspirononane nonsaccharide inhibitors of O-GlcNAcase (OGA) for the treatment of neurodegenerative disorders
Journal of Medicinal Chemistry. 2020; 63(22): 14017-14044. https://doi.org/10.1021/acs.jmedchem.0c01479
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Micevski D, Zeth K, Mulhern TD, Schuenemann VJ, Zammit JE, Truscott KN, et al.
Insight into the RssB-mediated recognition and delivery of σs to the AAA+ protease, ClpXP
Biomolecules. 2020; 10(4): 615 (25 pp.). https://doi.org/10.3390/biom10040615
DORA PSI -
Mishra A, Castañeda TR, Bader E, Elshorst B, Cummings S, Scherer P, et al.
Triantennary GalNAc molecular imaging probes for monitoring hepatocyte function in a rat model of nonalcoholic steatohepatitis
Advanced Science. 2020; 7(24): 2002997 (9 pp.). https://doi.org/10.1002/advs.202002997
DORA PSI -
Moliterni A, Altamura D, Lassandro R, Olieric V, Ferri G, Cardarelli F, et al.
Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2020; B76: 427-435. https://doi.org/10.1107/S2052520620004424
DORA PSI -
Moussu S, Broyart C, Santos-Fernandez G, Augustin S, Wehrle S, Grossniklaus U, et al.
Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(13): 7494-7503. https://doi.org/10.1073/pnas.2000100117
DORA PSI -
Mylemans B, Noguchi H, Deridder E, Lescrinier E, Tame JRH, Voet ARD
Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein
Protein Science. 2020; 29(12): 2375-2386. https://doi.org/10.1002/pro.3961
DORA PSI -
Nakamura R, Hikita M, Ogawa S, Takahashi Y, Fujishiro T
Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes
FEBS Journal. 2020; 287(6): 1138-1154. https://doi.org/10.1111/febs.15081
DORA PSI -
Nicoll CR, Bailleul G, Fiorentini F, Mascotti ML, Fraaije MW, Mattevi A
Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs
Nature Structural and Molecular Biology. 2020; 27(1): 14-24. https://doi.org/10.1038/s41594-019-0347-2
DORA PSI -
Okuda S, Fujita S, Moretti A, Hohmann U, Doblas VG, Ma Y, et al.
Molecular mechanism for the recognition of sequencedivergent CIF peptides by the plant receptor kinases GSO1/SGN3 and GSO2
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(5): 2693-2703. https://doi.org/10.1073/pnas.1911553117
DORA PSI -
Parker BW, Gogl G, Bálint M, Hetényi C, Reményi A, Weiss EL
Ndr/Lats kinases bind specific mob-family coactivators through a conserved and modular interface
Biochemistry. 2020; 59(17): 1688-1700. https://doi.org/10.1021/acs.biochem.9b01096
DORA PSI -
Pichler MJ, Yamada C, Shuoker B, Alvarez-Silva C, Gotoh A, Leth ML, et al.
Butyrate producing colonic Clostridiales metabolise human milk oligosaccharides and cross feed on mucin via conserved pathways
Nature Communications. 2020; 11(1): 3285 (15 pp.). https://doi.org/10.1038/s41467-020-17075-x
DORA PSI -
Pietsch M, Viht K, Schnitzler A, Ekambaram R, Steinkrüger M, Enkvist E, et al.
Unexpected CK2β-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2
Bioorganic Chemistry. 2020; 96: 103608 (8 pp.). https://doi.org/10.1016/j.bioorg.2020.103608
DORA PSI -
Pinto PH, Kroupova A, Schleiffer A, Mechtler K, Jinek M, Weitzer S, et al.
ANGEL2 is a member of the CCR4 family of deadenylases with 2′,3′-cyclic phosphatase activity
Science. 2020; 369(6503): 524-530. https://doi.org/10.1126/science.aba9763
DORA PSI -
Platzer G, Mayer M, Beier A, Brüschweiler S, Fuchs JE, Engelhardt H, et al.
PI by NMR: probing CH-π interactions in protein-ligand complexes by NMR spectroscopy
Angewandte Chemie International Edition. 2020; 59(35): 14861-14868. https://doi.org/10.1002/anie.202003732
DORA PSI -
Rajan S, Jang Y, Kim C-H, Kim W, Toh HT, Jeon J, et al.
PGE1 and PGA1 bind to Nurr1 and activate its transcriptional function
Nature Chemical Biology. 2020. https://doi.org/10.1038/s41589-020-0553-6
DORA PSI -
Rigoldi F, Donini S, Torretta A, Carbone A, Redaelli A, Bandiera T, et al.
Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel
Biotechnology and Bioengineering. 2020; 117(12): 3688-3698. https://doi.org/10.1002/bit.27535
DORA PSI -
Rohde M, Grunau K, Einsle O
CO binding to the FeV cofactor of CO-reducing vanadium nitrogenase at atomic resolution
Angewandte Chemie International Edition. 2020. https://doi.org/10.1002/anie.202010790
DORA PSI -
Romussi A, Cappa A, Vianello P, Brambillasca S, Cera MR, Dal Zuffo R, et al.
Discovery of reversible inhibitors of KDM1A efficacious in acute myeloid leukemia models
ACS Medicinal Chemistry Letters. 2020; 11(5): 754-759. https://doi.org/10.1021/acsmedchemlett.9b00604
DORA PSI -
Ruegenberg S, Horn M, Pichlo C, Allmeroth K, Baumann U, Denzel MS
Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis
Nature Communications. 2020; 11(1): 687 (16 pp.). https://doi.org/10.1038/s41467-020-14524-5
DORA PSI -
Sabath K, Stäubli ML, Marti S, Leitner A, Moes M, Jonas S
INTS10-INTS13-INTS14 form a functional module of Integrator that binds nucleic acids and the cleavage module
Nature Communications. 2020; 11(1): 3422 (16 pp.). https://doi.org/10.1038/s41467-020-17232-2
DORA PSI -
Sato T, Sekimata K, Sakai N, Watanabe H, Mishima-Tsumagari C, Taguri T, et al.
Structural basis of activin receptor-like kinase 2 (R206H) inhibition by bis-heteroaryl pyrazole-based inhibitors for the treatment of fibrodysplasia ossificans progressiva identified by the integration of ligand-based and structure-based drug design approaches
ACS Omega. 2020; 5(20): 11411-11423. https://doi.org/10.1021/acsomega.9b04245
DORA PSI -
Savino S, Jensen S, Terwisscha van Scheltinga A, Fraaije MW
Analysis of the structure and substrate scope of chitooligosaccharide oxidase reveals high affinity for C2-modified glucosamines
FEBS Letters. 2020; 594(17): 2819-2828. https://doi.org/10.1002/1873-3468.13854
DORA PSI -
Schröder M, Bullock AN, Fedorov O, Bracher F, Chaikuad A, Knapp S
DFG-1 residue controls inhibitor binding mode and affinity, providing a basis for rational design of kinase inhibitor selectivity
Journal of Medicinal Chemistry. 2020; 63(18): 10224-10234. https://doi.org/10.1021/acs.jmedchem.0c00898
DORA PSI -
Sesterhenn F, Yang C, Bonet J, Cramer JT, Wen X, Wang Y, et al.
De novo protein design enables the precise induction of RSV-neutralizing antibodies
Science. 2020; 368(6492): eaay5051 (10 pp.). https://doi.org/10.1126/science.aay5051
DORA PSI -
Sikandar A, Lopatniuk M, Luzhetskyy A, Koehnke J
Non-heme monooxygenase ThoJ catalyzes thioholgamide β-hydroxylation
ACS Chemical Biology. 2020; 15(10): 2815-2819. https://doi.org/10.1021/acschembio.0c00637
DORA PSI -
Sikandar A, Franz L, Adam S, Santos-Aberturas J, Horbal L, Luzhetskyy A, et al.
The bottromycin epimerase BotH defines a group of atypical α/β-hydrolase-fold enzymes
Nature Chemical Biology. 2020; 16: 1013-1018. https://doi.org/10.1038/s41589-020-0569-y
DORA PSI -
Simeth NA, Kinateder T, Rajendran C, Nazet J, Merkl R, Sterner R, et al.
Towards photochromic azobenzene-based inhibitors for tryptophan synthase
Chemistry: A European Journal. 2020. https://doi.org/10.1002/chem.202004061
DORA PSI -
Softley CA, Zak KM, Bostock MJ, Fino R, Zhou RX, Kolonko M, et al.
Structure and molecular recognition mechanism of IMP-13 metallo-β-lactamase
Antimicrobial Agents and Chemotherapy. 2020; 64(6): e00123-20 (20 pp.). https://doi.org/10.1128/AAC.00123-20
DORA PSI -
Soh Y-M, Basquin J, Gruber S
A rod conformation of the Pyrococcus furiosus Rad50 coiled coil
Proteins. 2020. https://doi.org/10.1002/prot.26005
DORA PSI -
Soman A, Liew CW, Teo HL, Berezhnoy NV, Olieric V, Korolev N, et al.
The human telomeric nucleosome displays distinct structural and dynamic properties
Nucleic Acids Research. 2020; 48(10): 5383-5396. https://doi.org/10.1093/nar/gkaa289
DORA PSI -
Spyrakis F, Santucci M, Maso L, Cross S, Gianquinto E, Sannio F, et al.
Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases
Scientific Reports. 2020; 10(1): 12763 (15 pp.). https://doi.org/10.1038/s41598-020-69431-y
DORA PSI -
Ströh LJ, Rustmeier NH, Blaum BS, Botsch J, Rößler P, Wedekink F, et al.
Structural basis and evolution of glycan receptor specificities within the polyomavirus family
mBio. 2020; 11(4): e00745-20 (21 pp.). https://doi.org/10.1128/mBio.00745-20
DORA PSI -
Studer MK, Ivanovic L, Weber ME, Marti S, Jonas S
Structural basis for DEAH-helicase activation by G-patch proteins
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(13): 7159-7170. https://doi.org/10.1073/pnas.1913880117
DORA PSI -
Surivet J-P, Panchaud P, Specklin J-L, Diethelm S, Blumstein A-C, Gauvin J-C, et al.
Discovery of novel inhibitors of LpxC displaying potent in vitro activity against Gram-negative bacteria
Journal of Medicinal Chemistry. 2020; 63(1): 66-87. https://doi.org/10.1021/acs.jmedchem.9b01604
DORA PSI -
Tomassi S, Pfahler J, Mautone N, Rovere A, Esposito C, Passeri D, et al.
From PARP1 to TNKS2 inhibition: a structure-based approach
ACS Medicinal Chemistry Letters. 2020; 11(5): 862-868. https://doi.org/10.1021/acsmedchemlett.9b00654
DORA PSI -
Torretta A, Lopez-Cara LC, Parisini E
Crystal structure of the apo and the adp-bound form of choline kinase from plasmodium falciparum
Crystals. 2020; 10(7): 613 (13 pp.). https://doi.org/10.3390/cryst10070613
DORA PSI -
Traczyk A, Liew CW, Gill DJ, Rhodes D
Structural basis of G-quadruplex DNA recognition by the yeast telomeric protein Rap1
Nucleic Acids Research. 2020; 48(8): 4562-4571. https://doi.org/10.1093/nar/gkaa171
DORA PSI -
Ung KL, Kremer L, Blaise M
Structural analysis of the N-acetyltransferase Eis1 from Mycobacterium abscessus reveals the molecular determinants of its incapacity to modify aminoglycosides
Proteins. 2020; 89(1): 94-106. https://doi.org/10.1002/prot.25997
DORA PSI -
Ung KL, Alsarraf HMAB, Kremer L, Blaise M
The crystal structure of the mycobacterial trehalose monomycolate transport factor A, TtfA, reveals an atypical fold
Proteins. 2020; 88(6): 809-815. https://doi.org/10.1002/prot.25863
DORA PSI -
Vettraino C, Peracchi A, Donini S, Parisinia E
Structural characterization of human O-phosphoethanolamine phospho-lyase
Acta Crystallographica Section F: Structural Biology and Crystallization Communications. 2020; 76: 160-167. https://doi.org/10.1107/S2053230X20002988
DORA PSI -
Welte H, Zhou T, Mihajlenko X, Mayans O, Kovermann M
What does fluorine do to a protein? Thermodynamic, and highly-resolved structural insights into fluorine-labelled variants of the cold shock protein
Scientific Reports. 2020; 10(1): 2640 (12 pp.). https://doi.org/10.1038/s41598-020-59446-w
DORA PSI -
Wenskowsky L, Wagner M, Reusch J, Schreuder H, Matter H, Opatz T, et al.
Resolving binding events on the multifunctional human serum albumin
ChemMedChem. 2020; 15(9): 738-743. https://doi.org/10.1002/cmdc.202000069
DORA PSI -
White C, McGowan MA, Zhou H, Sciammetta N, Fradera X, Lim J, et al.
Strategic incorporation of polarity in heme-displacing inhibitors of indoleamine-2,3-dioxygenase-1 (IDO1)
ACS Medicinal Chemistry Letters. 2020; 11(4): 550-557. https://doi.org/10.1021/acsmedchemlett.0c00010
DORA PSI -
Wu HD, Kikuchi M, Dagliyan O, Aragaki AK, Nakamura H, Dokholyan NV, et al.
Rational design and implementation of a chemically inducible heterotrimerization system
Nature Methods. 2020; 17(9): 928-936. https://doi.org/10.1038/s41592-020-0913-x
DORA PSI -
Xin Z, Himmelbauer MK, Jones JH, Enyedy I, Gilfillan R, Hesson T, et al.
Discovery of CNS-penetrant apoptosis signal-regulating kinase 1 (ASK1) inhibitors
ACS Medicinal Chemistry Letters. 2020; 11(4): 485-490. https://doi.org/10.1021/acsmedchemlett.9b00611
DORA PSI -
Yu X, Gao X, Zhu K, Yin H, Mao X, Wojdyla JA, et al.
Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism
Communications Biology. 2020; 3(1): 216 (15 pp.). https://doi.org/10.1038/s42003-020-0941-1
DORA PSI -
Zender M, Witzgall F, Kiefer A, Kirsch B, Maurer CK, Kany AM, et al.
Flexible fragment growing boosts potency of quorum-sensing inhibitors against Pseudomonas aeruginosa virulence
ChemMedChem. 2020; 15(2): 188-194. https://doi.org/10.1002/cmdc.201900621
DORA PSI -
Zinzula L, Basquin J, Bohn S, Beck F, Klumpe S, Pfeifer G, et al.
High-resolution structure and biophysical characterization of the nucleocapsid phosphoprotein dimerization domain from the Covid-19 severe acute respiratory syndrome coronavirus 2
Biochemical and Biophysical Research Communications. 2020. https://doi.org/10.1016/j.bbrc.2020.09.131
DORA PSI -
Abskharon R, Wang F, Wohlkonig A, Ruan J, Soror S, Giachin G, et al.
Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion
PLoS Pathogens. 2019; 15(12): e1008139 (21 pp.). https://doi.org/10.1371/journal.ppat.1008139
DORA PSI -
Akichika S, Hirano S, Shichino Y, Suzuki T, Nishimasu H, Ishitani R, et al.
Cap-specific terminal N6-methylation of RNA by an RNA polymerase II-associated methyltransferase
Science. 2019; 363(6423): eaav0080 (7 pp.). https://doi.org/10.1126/science.aav0080
DORA PSI -
Andreou A, Giastas P, Arnaouteli S, Tzanodaskalaki M, Tzartos SJ, Bethanis K, et al.
The putative polysaccharide deacetylase Ba0331: cloning, expression, crystallization and structure determination
Acta Crystallographica Section F: Structural Biology and Crystallization Communications. 2019; 75(4): 312-320. https://doi.org/10.1107/S2053230X19001766
DORA PSI -
André C, Martiel I, Wolff P, Landolfo M, Lorber B, Silva da Veiga C, et al.
Interaction of a model peptide on gram negative and gram positive bacterial sliding clamps
ACS Infectious Diseases. 2019; 5: 1022-1034. https://doi.org/10.1021/acsinfecdis.9b00089
DORA PSI -
Apel A-K, Cheng RKY, Tautermann CS, Brauchle M, Huang C-Y, Pautsch A, et al.
Crystal structure of CC chemokine receptor 2A in complex with an orthosteric antagonist provides insights for the design of selective antagonists
Structure. 2019; 27(3): 427-438.e5. https://doi.org/10.1016/j.str.2018.10.027
DORA PSI -
Bachmaier S, Volpato Santos Y, Kramer S, Githure GB, Klöckner T, Pepperl J, et al.
Nucleoside analogue activators of cyclic AMP-independent protein kinase A of Trypanosoma
Nature Communications. 2019; 10(1): 1421 (14 pp.). https://doi.org/10.1038/s41467-019-09338-z
DORA PSI -
Baeriswyl S, Javor S, Stocker A, Darbre T, Reymond J-L
X-Ray crystal structure of a second-generation peptide dendrimer in complex with Pseudomonas aeruginosa lectin LecB
Helvetica Chimica Acta. 2019; 102(9): e1900178 (10 pp.). https://doi.org/10.1002/hlca.201900178
DORA PSI -
Baeriswyl S, Gan B-H, Siriwardena TN, Visini R, Robadey M, Javor S, et al.
X-ray crystal structures of short antimicrobial peptides as Pseudomonas aeruginosa lectin B complexes
ACS Chemical Biology. 2019; 14(4): 758-766. https://doi.org/10.1021/acschembio.9b00047
DORA PSI -
Baier M, Rustmeier NH, Harr J, Cyrus N, Reiss GJ, Grafmüller A, et al.
Divalent sialylated precision glycooligomers binding to polyomaviruses and the effect of different linkers
Macromolecular Bioscience. 2019; 19(5): 1800426 (7 pp.). https://doi.org/10.1002/mabi.201800426
DORA PSI -
Basu S, Olieric V, Leonarski F, Matsugaki N, Kawano Y, Takashi T, et al.
Long-wavelength native-SAD phasing: opportunities and challenges
IUCrJ. 2019; 6(3): 1-14. https://doi.org/10.1107/S2052252519002756
DORA PSI -
Basu S, Finke A, Vera L, Wang M, Olieric V
Making routine native SAD a reality: lessons from beamline X06DA at the Swiss Light Source
Acta Crystallographica Section D: Structural Biology. 2019; 75(3): 262-271. https://doi.org/10.1107/S2059798319003103
DORA PSI -
Batchelor LK, De Falco L, von Erlach T, Sharma D, Adhireksan Z, Roethlisberger U, et al.
Crosslinking allosteric sites on the nucleosome
Angewandte Chemie International Edition. 2019; 58(44): 15660-15664. https://doi.org/10.1002/anie.201906423
DORA PSI -
Belorusova AY, Evertsson E, Hovdal D, Sandmark J, Bratt E, Maxvall I, et al.
Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands
Communications Biology. 2019; 2(1): 431 (13 pp.). https://doi.org/10.1038/s42003-019-0675-0
DORA PSI -
Bergner A, Cockcroft X, Fischer G, Gollner A, Hela W, Kousek R, et al.
KRAS binders hidden in nature
Chemistry: A European Journal. 2019; 25(52): 12037-12041. https://doi.org/10.1002/chem.201902810
DORA PSI -
Boneberg FM, Brandmann T, Kobel L, van den Heuvel J, Bargsten K, Bammert L, et al.
Molecular mechanism of the RNA helicase DHX37 and its activation by UTP14A in ribosome biogenesis
RNA. 2019; 25(6): 685-701. https://doi.org/10.1261/rna.069609.118
DORA PSI -
Bourdeaux F, Ludwig P, Paithankar K, Sander B, Essen L-O, Grininger M, et al.
Comparative biochemical and structural analysis of the flavin-binding dodecins from Streptomyces davaonensis and Streptomyces coelicolor reveals striking differences with regarto multimerization
Microbiology. 2019; 165(10): 1095-1106. https://doi.org/10.1099/mic.0.000835
DORA PSI -
Brindisi M, Ulivieri C, Alfano G, Gemma S, de Asís Balaguer F, Khan T, et al.
Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents
European Journal of Medicinal Chemistry. 2019; 162: 290-320. https://doi.org/10.1016/j.ejmech.2018.11.004
DORA PSI -
Bunzel HA, Kries H, Marchetti L, Zeymer C, Mittl PRE, Mulholland AJ, et al.
Emergence of a negative activation heat capacity during evolution of a designed enzyme
Journal of the American Chemical Society. 2019; 141(30): 11745-11748. https://doi.org/10.1021/jacs.9b02731
DORA PSI -
Böttcher J, Dilworth D, Reiser U, Neumüller RA, Schleicher M, Petronczki M, et al.
Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3
Nature Chemical Biology. 2019; 15(8): 822-829. https://doi.org/10.1038/s41589-019-0310-x
DORA PSI -
Castagna R, Donini S, Colnago P, Serafini A, Parisini E, Bertarelli C
Biohybrid electrospun membrane for the filtration of ketoprofen drug from water
ACS Omega. 2019; 4(8): 13270-13278. https://doi.org/10.1021/acsomega.9b01442
DORA PSI -
Chaikuad A, Koschade SE, Stolz A, Zivkovic K, Pohl C, Shaid S, et al.
Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2)
Biochemical Journal. 2019; 476(5): 875-887. https://doi.org/10.1042/BCJ20190038
DORA PSI -
Chen F, Lukat P, Iqbal AA, Saile K, Kaever V, van den Heuvel J, et al.
Crystal structure of cis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(41): 20644-20654. https://doi.org/10.1073/pnas.1908770116
DORA PSI -
Clarke DE, Noguchi H, Gryspeerdt J-LAG, De Feyter S, Voet ARD
Artificial β-propeller protein-based hydrolases
Chemical Communications. 2019; 55(60): 8880-8883. https://doi.org/10.1039/c9cc04388h
DORA PSI -
Costa NL, Hermann B, Fourmond V, Faustino MM, Teixeira M, Einsle O, et al.
How thermophilic Gram-positive organisms perform extracellular electron transfer: characterization of the cell surface terminal reductase OcwA
mBio. 2019; 10(4): e01210-19 (13 pp.). https://doi.org/10.1128/mBio.01210-19
DORA PSI -
Damm-Ganamet KL, Arora N, Becart S, Edwards JP, Lebsack AD, McAllister HM, et al.
Accelerating lead identification by high throughput virtual screening: prospective case studies from the pharmaceutical industry
Journal of Chemical Information and Modeling. 2019; 59(5): 2046-2062. https://doi.org/10.1021/acs.jcim.8b00941
DORA PSI -
Deshpande I, Keusch JJ, Challa K, Iesmantavicius V, Gasser SM, Gut H
The Sir4 H-BRCT domain interacts with phospho-proteins to sequester and repress yeast heterochromatin
EMBO Journal. 2019; 38(20): e101744 (18 pp.). https://doi.org/10.15252/embj.2019101744
DORA PSI -
Dohle W, Prota AE, Menchon G, Hamel E, Steinmetz MO, Potter BVL
Tetrahydroisoquinoline sulfamates as potent microtubule disruptors: synthesis, antiproliferative and antitubulin activity of dichlorobenzyl-based derivatives, and a Tubulin cocrystal structure.
ACS Omega. 2019; 4: 755-764. https://doi.org/10.1021/acsomega.8b02879
DORA PSI -
Ebenhoch R, Akhdar A, Reboll MR, Korf-Klingebiel M, Gupta P, Armstrong J, et al.
Crystal structure and receptor-interacting residues of MYDGF - a protein mediating ischemic tissue repair
Nature Communications. 2019; 10(1): 5379 (10 pp.). https://doi.org/10.1038/s41467-019-13343-7
DORA PSI -
Ejby M, Guskov A, Pichler MJ, Zanten GC, Schoof E, Saburi W, et al.
Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on β-mannan possess distinct manno-oligosaccharide-binding profiles
Molecular Microbiology. 2019; 112(1): 114-130. https://doi.org/10.1111/mmi.14257
DORA PSI -
Ernst P, Plückthun A, Mittl PRE
Structural analysis of biological targets by host:guest crystal lattice engineering
Scientific Reports. 2019; 9(1): 15199 (11 pp.). https://doi.org/10.1038/s41598-019-51017-y
DORA PSI -
Faltova L, Jiang K, Frey D, Wu Y, Capitani G, Prota AE, et al.
Crystal structure of a heterotetrameric katanin p60:p80 complex
Structure. 2019; 27(9): 1375-1383.e3. https://doi.org/10.1016/j.str.2019.07.002
DORA PSI -
Focken T, Burford K, Grimwood ME, Zenova A, Andrez J-C, Gong W, et al.
Identification of CNS-penetrant aryl sulfonamides as isoform-selective NaV1.6 inhibitors with efficacy in mouse models of epilepsy
Journal of Medicinal Chemistry. 2019; 62(21): 9618-9641. https://doi.org/10.1021/acs.jmedchem.9b01032
DORA PSI -
Fragel SM, Montada A, Heermann R, Baumann U, Schacherl M, Schnetz K
Characterization of the pleiotropic LysR-type transcription regulator LeuO of Escherichia coli
Nucleic Acids Research. 2019; 47(14): 7363-7379. https://doi.org/10.1093/nar/gkz506
DORA PSI -
Friedel K, Popp MA, Matern JCJ, Gazdag EM, Thiel IV, Volkmann G, et al.
A functional interplay between intein and extein sequences in protein splicing compensates for the essential block B histidine
Chemical Science. 2019; 10(1): 239-251. https://doi.org/10.1039/C8SC01074A
DORA PSI -
Fujimoto K, Matsuoka E, Asada N, Tadano G, Yamamoto T, Nakahara K, et al.
Structure-based design of selective β-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: targeting the flap to gain selectivity over BACE2
Journal of Medicinal Chemistry. 2019; 62(10): 5080-5095. https://doi.org/10.1021/acs.jmedchem.9b00309
DORA PSI -
Galuskin EV, Krüger B, Galuskina IO, Krüger H, Vapnik Y, Pauluhn A, et al.
Levantite, KCa3(Al2Si3)O11(PO4), a new latiumite group mineral from pyrometamorphic rock of the Hatrurim Basin, Negev Desert, Israel
Mineralogical Magazine. 2019; 83(5): 713-721. https://doi.org/10.1180/mgm.2019.37
DORA PSI -
Grāve K, Lambert W, Berggren G, Griese JJ, Bennett MD, Logan DT, et al.
Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access
Journal of Biological Inorganic Chemistry. 2019; 24(6): 849-861. https://doi.org/10.1007/s00775-019-01703-z
DORA PSI -
Guillon R, Rahimova R, Preeti P, Egron D, Rouanet S, Dumontet C, et al.
Lead optimization and biological evaluation of fragment-based cN-II inhibitors
European Journal of Medicinal Chemistry. 2019; 168: 28-44. https://doi.org/10.1016/j.ejmech.2019.02.040
DORA PSI -
Hegge JW, Swarts DC, Chandradoss SD, Cui TJ, Kneppers J, Jinek M, et al.
DNA-guided DNA cleavage at moderate temperatures by Clostridium butyricum Argonaute
Nucleic Acids Research. 2019; 47(11): 5809-5821. https://doi.org/10.1093/nar/gkz306
DORA PSI -
Heinrich T, Seenisamy J, Blume B, Bomke J, Calderini M, Eckert U, et al.
Discovery and structure-based optimization of next-generation reversible methionine aminopeptidase-2 (MetAP-2) inhibitors
Journal of Medicinal Chemistry. 2019; 62(10): 5025-5039. https://doi.org/10.1021/acs.jmedchem.9b00041
DORA PSI -
Hohmann U, Hothorn M
Crystal structure of the leucine-rich repeat ectodomain of the plant immune receptor kinase SOBIR1
Acta Crystallographica Section D: Structural Biology. 2019; 75(5): 488-497. https://doi.org/10.1107/S2059798319005291
DORA PSI -
Hutter CAJ, Timachi MH, Hürlimann LM, Zimmermann I, Egloff P, Göddeke H, et al.
The extracellular gate shapes the energy profile of an ABC exporter
Nature Communications. 2019; 10(1): 2260 (13 pp.). https://doi.org/10.1038/s41467-019-09892-6
DORA PSI -
Hénault CM, Govaerts C, Spurny R, Brams M, Estrada-Mondragon A, Lynch J, et al.
A lipid site shapes the agonist response of a pentameric ligand-gated ion channel
Nature Chemical Biology. 2019; 15(12): 1156-1164. https://doi.org/10.1038/s41589-019-0369-4
DORA PSI -
Iwabuchi N, Maejima K, Kitazawa Y, Miyatake H, Nishikawa M, Tokuda R, et al.
Crystal structure of phyllogen, a phyllody-inducing effector protein of phytoplasma
Biochemical and Biophysical Research Communications. 2019; 513(4): 952-957. https://doi.org/10.1016/j.bbrc.2019.04.060
DORA PSI -
Jaroensuk J, Wong YH, Zhong W, Liew CW, Maenpuen S, Sahili AE, et al.
Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa
RNA. 2019; 25(11): 1481-1496. https://doi.org/10.1261/rna.066746.118
DORA PSI -
Javitt G, Calvo MLG, Albert L, Reznik N, Ilani T, Diskin R, et al.
Intestinal gel-forming mucins polymerize by disulfide-mediated dimerization of D3 domains
Journal of Molecular Biology. 2019; 431(19): 3740-3752. https://doi.org/10.1016/j.jmb.2019.07.018
DORA PSI -
Kahlenberg V, Krüger H, Goettgens VS
Structural elucidation of triclinic and monoclinic SFCA-III - killing two birds with one stone
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2019; 75(6): 1126-1136. https://doi.org/10.1107/S2052520619014380
DORA PSI -
Kahlenberg V, Galuskina I, Krüger B, Pauluhn A, Galuskin E
Structural investigations on bredigite from the Hatrurim Complex
Mineralogy and Petrology. 2019; 113(2): 261-272. https://doi.org/10.1007/s00710-018-0646-z
DORA PSI -
Kahlenberg V, Albrecht R, Schmidmair D, Krüger H, Krüger B, Tribus M, et al.
Structural studies on Ca3Al4MgO10 (C3A2M) - a ternary phase in the system CaO-Al2O3-MgO
Journal of the American Ceramic Society. 2019; 102(4): 2084-2093. https://doi.org/10.1111/jace.16001
DORA PSI -
Kessler D, Gmachl M, Mantoulidis A, Martin LJ, Zoephel A, Mayer M, et al.
Drugging an undruggable pocket on KRAS
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(32): 15823-15829. https://doi.org/10.1073/pnas.1904529116
DORA PSI -
Klamt A, Nagarathinam K, Tanabe M, Kumar A, Balbach J
Hyperbolic pressure-temperature phase diagram of the zinc-finger protein apoKti11 detected by NMR spectroscopy
Journal of Physical Chemistry B. 2019; 123(4): 792-801. https://doi.org/10.1021/acs.jpcb.8b11019
DORA PSI -
Klünemann T, Preuß A, Adamczack J, Rosa LFM, Harnisch F, Layer G, et al.
Crystal structure of dihydro-heme d1 dehydrogenase NirN from Pseudomonas aeruginosa reveals amino acid residues essential for catalysis
Journal of Molecular Biology. 2019; 431(17): 3246-3260. https://doi.org/10.1016/j.jmb.2019.05.046
DORA PSI -
Kneuttinger AC, Straub K, Bittner P, Simeth NA, Bruckmann A, Busch F, et al.
Light regulation of enzyme allostery through photo-responsive unnatural amino acids
Cell Chemical Biology. 2019; 26(11): 1501-1514.e9. https://doi.org/10.1016/j.chembiol.2019.08.006
DORA PSI -
Korntner-Vetter M, Lefèvre S, Hu X-W, George R, Singleton MR
Subunit interactions and arrangements in the fission yeast Mis16-Mis18-Mis19 complex
Life Science Alliance. 2019; 2(4): e201900408 (11 pp.). https://doi.org/10.26508/lsa.201900408
DORA PSI -
Kroupova A, Ivaşcu A, Reimão-Pinto MM, Ameres SL, Jinek M
Structural basis for acceptor RNA substrate selectivity of the 3' terminal uridylyl transferase Tailor
Nucleic Acids Research. 2019; 47(2): 1030-1042. https://doi.org/10.1093/nar/gky1164
DORA PSI -
Kutnowski N, Shmulevich F, Davidov G, Shahar A, Bar-Zvi D, Eichler J, et al.
Specificity of protein-DNA interactions in hypersaline environment: structural studies on complexes of Halobacterium salinarum oxidative stress-dependent protein hsRosR
Nucleic Acids Research. 2019; 47(16): 8860-8873. https://doi.org/10.1093/nar/gkz604
DORA PSI -
La Sala G, Olieric N, Sharma A, Viti F, de Asis Balaguer Perez F, Huang L, et al.
Structure, thermodynamics, and kinetics of plinabulin binding to two tubulin isotypes
Chem. 2019; 5(11): 2969-2986. https://doi.org/10.1016/j.chempr.2019.08.022
DORA PSI -
Lach M, Künzle M, Beck T
Proteins as sustainable building blocks for the next generation of bioinorganic nanomaterials
Biochemistry. 2019; 58(3): 140-141. https://doi.org/10.1021/acs.biochem.8b00966
DORA PSI -
Lau K, Podolec R, Chappuis R, Ulm R, Hothorn M
Plant photoreceptors and their signaling components compete for COP1 binding via VP peptide motifs
EMBO Journal. 2019; 38(18): e102140 (18 pp.). https://doi.org/10.15252/embj.2019102140
DORA PSI -
Leisinger F, Burn R, Meury M, Lukat P, Seebeck FP
Structural and mechanistic basis for anaerobic ergothioneine biosynthesis
Journal of the American Chemical Society. 2019; 141(17): 6906-6914. https://doi.org/10.1021/jacs.8b12596
DORA PSI -
Leopold K, Stirpe A, Schalch T
Transcriptional gene silencing requires dedicated interaction between HP1 protein Chp2 and chromatin remodeler Mit1
Genes and Development. 2019; 33(9-10): 565-577. https://doi.org/10.1101/gad.320440.118
DORA PSI -
Levy N, Bruneau J-M, Le Rouzic E, Bonnard D, Le Strat F, Caravano A, et al.
Structural Basis for E. coli penicillin binding protein (PBP) 2 inhibition, a platform for drug design
Journal of Medicinal Chemistry. 2019; 62(9): 4742-4754. https://doi.org/10.1021/acs.jmedchem.9b00338
DORA PSI -
Li H, Huang C-Y, Govorunova EG, Schafer CT, Sineshchekov OA, Wang M, et al.
Crystal structure of a natural light-gated anion channelrhodopsin
eLife. 2019; 8: e41741 (21 pp.). https://doi.org/10.7554/eLife.41741
DORA PSI -
Li Y, Bedi RK, Wiedmer L, Huang D, Śledź P, Caflisch A
Flexible binding of m6A reader protein YTHDC1 to its preferred RNA motif
Journal of Chemical Theory and Computation. 2019; 15(12): 7004-7014. https://doi.org/10.1021/acs.jctc.9b00987
DORA PSI -
Lingaraju M, Johnsen D, Schlundt A, Langer LM, Basquin J, Sattler M, et al.
The MTR4 helicase recruits nuclear adaptors of the human RNA exosome using distinct arch-interacting motifs
Nature Communications. 2019; 10(1): 3393 (11 pp.). https://doi.org/10.1038/s41467-019-11339-x
DORA PSI -
Liu X, An T, Li D, Fan Z, Xiang P, Li C, et al.
Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(6): 2068-2077. https://doi.org/10.1073/pnas.1810969116
DORA PSI -
Lončar N, Fiorentini F, Bailleul G, Savino S, Romero E, Mattevi A, et al.
Characterization of a thermostable flavin-containing monooxygenase from Nitrincola lacisaponensis (NiFMO)
Applied Microbiology and Biotechnology. 2019; 103(4): 1755-1764. https://doi.org/10.1007/s00253-018-09579-w
DORA PSI -
Lorenzo-Orts L, Hohmann U, Zhu J, Hothorn M
Molecular characterization of CHAD domains as inorganic polyphosphate-binding modules
Life Science Alliance. 2019; 2(3): e201900385 (14 pp.). https://doi.org/10.26508/lsa.201900385
DORA PSI -
Luxenburger A, Schmidt D, Ianes C, Pichlo C, Krüger M, von Drathen T, et al.
Design, synthesis and biological evaluation of isoxazole-based CK1 inhibitors modified with chiral pyrrolidine scaffolds
Molecules. 2019; 24(5): 873 (34 pp.). https://doi.org/10.3390/molecules24050873
DORA PSI -
Maurer A, Leisinger F, Lim D, Seebeck FP
Structure and mechanism of ergothionase from Treponema denticola
Chemistry: A European Journal. 2019; 25(44): 10298-10303. https://doi.org/10.1002/chem.201901866
DORA PSI -
Mayer J, Pippel J, Günther G, Müller C, Lauermann A, Knuuti T, et al.
Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability
Applied Microbiology and Biotechnology. 2019; 103(18): 7537-7552. https://doi.org/10.1007/s00253-019-09977-8
DORA PSI