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7ZSK
K3DAK4 bimodule core of BGC11 from Brevibacillus brevis.
Tittes et al., Sci. Adv. 8, eabo6918 (2022) 21 September 2022 SCIE N C E A D V A NCES | RESEA R CH A RT ICL E 1 of 9 ST RUCTURAL B IOL OG Y The structure of a polyketide synthase bimodule core Yves U. Tittes, Dominik A. Herbst†, Solène F. X. Martin, Hugo Munoz-Hernandez, Roman P. Jakob, Timm Maier* Polyketide syn...
7ZSL
human purine nucleoside phosphorylase in complex with JS-196
Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors Jan Skácel,⊥Stefan Djukic,⊥Ondřej Baszczyňski, Filip Kalčic, Tadeáš Bílek, Karel Chalupský, Jaroslav Kozák, Alexandra Dvořáková, Eva Tloušt’ová, Zuzana Král’ová, Markéta Šmídková, Jan Voldři...
7ZSM
human purine nucleoside phosphorylase in complex with JS-375
Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors Jan Skácel,⊥Stefan Djukic,⊥Ondřej Baszczyňski, Filip Kalčic, Tadeáš Bílek, Karel Chalupský, Jaroslav Kozák, Alexandra Dvořáková, Eva Tloušt’ová, Zuzana Král’ová, Markéta Šmídková, Jan Voldři...
7ZSN
human purine nucleoside phosphorylase in complex with JS-379
Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors Jan Skácel,⊥Stefan Djukic,⊥Ondřej Baszczyňski, Filip Kalčic, Tadeáš Bílek, Karel Chalupský, Jaroslav Kozák, Alexandra Dvořáková, Eva Tloušt’ová, Zuzana Král’ová, Markéta Šmídková, Jan Voldři...
7ZSO
human purine nucleoside phosphorylase in complex with JS-554
Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors Jan Skácel,⊥Stefan Djukic,⊥Ondřej Baszczyňski, Filip Kalčic, Tadeáš Bílek, Karel Chalupský, Jaroslav Kozák, Alexandra Dvořáková, Eva Tloušt’ová, Zuzana Král’ová, Markéta Šmídková, Jan Voldři...
7ZSP
human purine nucleoside phosphorylase in complex with JS-555
Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors Jan Skácel,⊥Stefan Djukic,⊥Ondřej Baszczyňski, Filip Kalčic, Tadeáš Bílek, Karel Chalupský, Jaroslav Kozák, Alexandra Dvořáková, Eva Tloušt’ová, Zuzana Král’ová, Markéta Šmídková, Jan Voldři...
7ZSQ
human purine nucleoside phosphorylase in complex with JS-555
Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors Jan Skácel,⊥Stefan Djukic,⊥Ondřej Baszczyňski, Filip Kalčic, Tadeáš Bílek, Karel Chalupský, Jaroslav Kozák, Alexandra Dvořáková, Eva Tloušt’ová, Zuzana Král’ová, Markéta Šmídková, Jan Voldři...
7ZSR
purine nucleoside phosphorylase in complex with JS-379
Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors Jan Skácel,⊥Stefan Djukic,⊥Ondřej Baszczyňski, Filip Kalčic, Tadeáš Bílek, Karel Chalupský, Jaroslav Kozák, Alexandra Dvořáková, Eva Tloušt’ová, Zuzana Král’ová, Markéta Šmídková, Jan Voldři...
7ZSS
cryo-EM structure of D614 spike in complex with de novo designed binder
176  |  Nature  |  Vol 617  |  4 May 2023 Article De novo design of protein interactions with learned surface fingerprints Pablo Gainza1,2,10,11, Sarah Wehrle1,2,11, Alexandra Van Hall-Beauvais1,2,11, Anthony Marchand1,2,11, Andreas Scheck1,2,11, Zander Harteveld1,2, Stephen Buckley1,2, Dongchun Ni3,4, Shuguang Tan5,...
7ZST
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01
Discovery of Small-Molecule Allosteric Inhibitors of PfATC as Antimalarials Chao Wang,# Bidong Zhang,# Arne Krüger, Xiaochen Du, Lidia Visser, Alexander S S Dömling, Carsten Wrenger, and Matthew R Groves* Cite This: J. Am. Chem. Soc. 2022, 144, 19070−19077 Read Online ACCESS Metrics & More Article Recommendations * sı...
7ZSU
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis Mona M. Katariya+,[b] Matthew Snee+,[c] Richard B. Tunnicliffe,[c] Madeline E. Kavanagh,[b, d] Helena I. M. Boshoff,[e] Cecilia N. Amadi,[c] Colin W. Levy,[c] Andrew W. Munro,[c] Chris Abell,[b] David Leys,[c] Anthony G. Coyne,...
7ZSV
F32V Cytochrome c prime beta from Methylococcus capsulatus (Bath) Chemically Reduced Ferrous Form
A heme pocket aromatic quadrupole modulates gas binding to cytochrome c0-β: Implications for NO sensors Received for publication, January 24, 2023, and in revised form, April 15, 2023 Published, Papers in Press, April 24, 2023, https://doi.org/10.1016/j.jbc.2023.104742 Hannah R. Adams1 , Dimitri A. Svistunenko1 , Micha...
7ZSW
F32V Cytochrome c prime beta from Methylococcus capsulatus (Bath): NO Complex
A heme pocket aromatic quadrupole modulates gas binding to cytochrome c0-β: Implications for NO sensors Received for publication, January 24, 2023, and in revised form, April 15, 2023 Published, Papers in Press, April 24, 2023, https://doi.org/10.1016/j.jbc.2023.104742 Hannah R. Adams1 , Dimitri A. Svistunenko1 , Micha...
7ZSX
F32V Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO Complex
A heme pocket aromatic quadrupole modulates gas binding to cytochrome c0-β: Implications for NO sensors Received for publication, January 24, 2023, and in revised form, April 15, 2023 Published, Papers in Press, April 24, 2023, https://doi.org/10.1016/j.jbc.2023.104742 Hannah R. Adams1 , Dimitri A. Svistunenko1 , Micha...
7ZSZ
Crystal structure of the GH11 domain of a multidomain xylanase from the hindgut metagenome of Trinervitermes trinervoides
RESEARCH ARTICLE Structural and biophysical characterization of the multidomain xylanase Xyl Valentine AnyeID, Robert F. Kruger, Wolf-Dieter SchubertID* Department of Biochemistry, Genetics and Microbiology, Faculty of Natural and Agricultural Sciences, University of Pretoria, Pretoria, South Africa * wolf-dieter.schub...
7ZT0
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis Mona M. Katariya+,[b] Matthew Snee+,[c] Richard B. Tunnicliffe,[c] Madeline E. Kavanagh,[b, d] Helena I. M. Boshoff,[e] Cecilia N. Amadi,[c] Colin W. Levy,[c] Andrew W. Munro,[c] Chris Abell,[b] David Leys,[c] Anthony G. Coyne,...
7ZT2
Structure of E8 TCR in complex with human MR1 bound to 5-OP-RU
ARTICLE Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses Andrew Chancellor1*, Robert Alan Simmons2*, Rahul C. Khanolkar2, Vladimir Nosi1,3, Aisha Beshirova1, Giuliano Berloffa1, Rodrigo Colombo1, Vijaykumar Karuppiah2, Johanne M. Pentier2, Vanessa Tubb2, Hemza ...
7ZT3
Structure of E8 TCR in complex in human MR1 K43A
ARTICLE Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses Andrew Chancellor1*, Robert Alan Simmons2*, Rahul C. Khanolkar2, Vladimir Nosi1,3, Aisha Beshirova1, Giuliano Berloffa1, Rodrigo Colombo1, Vijaykumar Karuppiah2, Johanne M. Pentier2, Vanessa Tubb2, Hemza ...
7ZT4
Structure of E8 TCR in complex with human MR1 bound to 6FP
ARTICLE Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses Andrew Chancellor1*, Robert Alan Simmons2*, Rahul C. Khanolkar2, Vladimir Nosi1,3, Aisha Beshirova1, Giuliano Berloffa1, Rodrigo Colombo1, Vijaykumar Karuppiah2, Johanne M. Pentier2, Vanessa Tubb2, Hemza ...
7ZT5
Structure of E8 TCR in complex in human MR1 bound to 3FSA
ARTICLE Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses Andrew Chancellor1*, Robert Alan Simmons2*, Rahul C. Khanolkar2, Vladimir Nosi1,3, Aisha Beshirova1, Giuliano Berloffa1, Rodrigo Colombo1, Vijaykumar Karuppiah2, Johanne M. Pentier2, Vanessa Tubb2, Hemza ...
7ZT6
Cryo-EM structure of Ku 70/80 bound to inositol hexakisphosphate
Nucleic Acids Research , 2023, 51 , 11732–11747 https://doi.org/10.1093/nar/gkad863 Advance access publication date: 23 October 2023 Genome integrity, repair and replication Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF int er action Antonia Kefala ...
7ZT7
Structure of E8 TCR in complex in human MR1 bound to 5FSA
ARTICLE Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses Andrew Chancellor1*, Robert Alan Simmons2*, Rahul C. Khanolkar2, Vladimir Nosi1,3, Aisha Beshirova1, Giuliano Berloffa1, Rodrigo Colombo1, Vijaykumar Karuppiah2, Johanne M. Pentier2, Vanessa Tubb2, Hemza ...
7ZT8
Structure of E8 TCR in complex in human MR1 bound to 3FBA
ARTICLE Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses Andrew Chancellor1*, Robert Alan Simmons2*, Rahul C. Khanolkar2, Vladimir Nosi1,3, Aisha Beshirova1, Giuliano Berloffa1, Rodrigo Colombo1, Vijaykumar Karuppiah2, Johanne M. Pentier2, Vanessa Tubb2, Hemza ...
7ZT9
Structure of E8 TCR in complex in human MR1 bound to 4FBA
ARTICLE Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses Andrew Chancellor1*, Robert Alan Simmons2*, Rahul C. Khanolkar2, Vladimir Nosi1,3, Aisha Beshirova1, Giuliano Berloffa1, Rodrigo Colombo1, Vijaykumar Karuppiah2, Johanne M. Pentier2, Vanessa Tubb2, Hemza ...
7ZTB
Structure of the Salmonella tRNA pyrophosphokinase CapRel
132  |  Nature  |  Vol 612  |  1 December 2022 Article Direct activation of a bacterial innate immune system by a viral capsid protein Tong Zhang1, Hedvig Tamman2, Kyo Coppieters ’t Wallant3, Tatsuaki Kurata4, Michele LeRoux1, Sriram Srikant1, Tetiana Brodiazhenko5, Albinas Cepauskas2, Ariel Talavera2, Chloe Martens...
7ZTH
Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the open conformation
Published online 28 June 2023 Nucleic Acids Research, 2023, Vol. 51, No. 15 8237–8254 https://doi.org/10.1093/nar/gkad552 Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR Ida Freda 1 , † , C ´ecile Exertier 2 , † , Anna Barile 2 , Antonio Chaves-Sanjuan 3 , Mirella...
7ZTI
F61V Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO Complex
A heme pocket aromatic quadrupole modulates gas binding to cytochrome c0-β: Implications for NO sensors Received for publication, January 24, 2023, and in revised form, April 15, 2023 Published, Papers in Press, April 24, 2023, https://doi.org/10.1016/j.jbc.2023.104742 Hannah R. Adams1 , Dimitri A. Svistunenko1 , Micha...
7ZTK
NME1 in complex with CoA
L IF E S CIEN CE S Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet Domenico Iuso1†, Isabel Garcia-Saez2, Yohann Couté3, Yoshiki Yamaryo-Botté1, Elisabetta Boeri Erba2, Annie Adrait3, Nour Zeaiter4, Malgorzata Tokarska-Schlattner4, Zuzana Macek Jilkova1,5, Fayçal Boussouar1...
7ZTL
Crystal structure of a covalently linked Aurora-A N-Myc complex
research papers Acta Cryst. (2023). D79, 1–9 https://doi.org/10.1107/S2059798322011433 1 Received 7 July 2022 Accepted 28 November 2022 Edited by M. Rudolph, F. Hoffmann-La Roche Ltd, Switzerland Keywords: Aurora-A; MYCN; cross-linking; neuroblastoma cells; oncogenic transcription factors; cancer targets. PDB reference...
7ZTS
Saccharomyces cerevisiae L-BC virus, open particle, asymmetric reconstruction
ARTICLE Structures of L-BC virus and its open particle provide insight into Totivirus capsid assembly Danyil Grybchuk 1, Michaela Procházková1, Tibor Füzik 1, Aleksandras Konovalovas2, Saulius Serva 2, Vyacheslav Yurchenko3 & Pavel Plevka 1✉ L-BC virus persists in the budding yeast Saccharomyces cerevisiae, whereas oth...
7ZTV
Crystal structure of mutant AR-LBD (F755L) bound to dihydrotestosterone
BI O CHEM ISTRY A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance Andrea Alegre-Martí1,2†, Alba Jiménez-Panizo1,2†, Adrián Martínez-Tébar3†, Coralie Poulard4, M. Núria Peralta-Moreno5, Montserrat Abella1,2, Rosa Antón6, Marcos Chiñas3,7,...
7ZTX
Crystal structure of mutant AR-LBD (F755V) bound to dihydrotestosterone
BI O CHEM ISTRY A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance Andrea Alegre-Martí1,2†, Alba Jiménez-Panizo1,2†, Adrián Martínez-Tébar3†, Coralie Poulard4, M. Núria Peralta-Moreno5, Montserrat Abella1,2, Rosa Antón6, Marcos Chiñas3,7,...
7ZTY
Structure of Vps39 N-terminal domain from Chaetomium thermophilum
Shvarev, Schoppe, König et al. eLife 2022;11:e80901. DOI: https://doi.org/10.7554/eLife.80901  1 of 20 Structure of the HOPS tethering complex, a lysosomal membrane fusion machinery Dmitry Shvarev1†, Jannis Schoppe2†, Caroline König2†, Angela Perz2, Nadia Füllbrunn2, Stephan Kiontke3, Lars Langemeyer2, Dovile Januli...
7ZTZ
Crystal structure of mutant AR-LBD (Y764C) bound to dihydrotestosterone
BI O CHEM ISTRY A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance Andrea Alegre-Martí1,2†, Alba Jiménez-Panizo1,2†, Adrián Martínez-Tébar3†, Coralie Poulard4, M. Núria Peralta-Moreno5, Montserrat Abella1,2, Rosa Antón6, Marcos Chiñas3,7,...
7ZU0
HOPS tethering complex from yeast
Shvarev, Schoppe, König et al. eLife 2022;11:e80901. DOI: https://doi.org/10.7554/eLife.80901  1 of 20 Structure of the HOPS tethering complex, a lysosomal membrane fusion machinery Dmitry Shvarev1†, Jannis Schoppe2†, Caroline König2†, Angela Perz2, Nadia Füllbrunn2, Stephan Kiontke3, Lars Langemeyer2, Dovile Januli...
7ZU1
Crystal structure of mutant AR-LBD (V758A) bound to dihydrotestosterone
BI O CHEM ISTRY A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance Andrea Alegre-Martí1,2†, Alba Jiménez-Panizo1,2†, Adrián Martínez-Tébar3†, Coralie Poulard4, M. Núria Peralta-Moreno5, Montserrat Abella1,2, Rosa Antón6, Marcos Chiñas3,7,...
7ZU2
Crystal structure of mutant AR-LBD (Q799E) bound to dihydrotestosterone
BI O CHEM ISTRY A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance Andrea Alegre-Martí1,2†, Alba Jiménez-Panizo1,2†, Adrián Martínez-Tébar3†, Coralie Poulard4, M. Núria Peralta-Moreno5, Montserrat Abella1,2, Rosa Antón6, Marcos Chiñas3,7,...
7ZU8
Crystal Structure of the zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 2.05 A resolution in presence of the crystallophore Lu-Xo4.
nature communications Article https://doi.org/10.1038/s41467-022-32215-1 Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy Laura del Amo-Maestro1,4, Soraia R. Mendes 1,4, Arturo Rodríguez-Banqueri1, Laura Garzon-Flores 1, Marina Girbal2,3, María José Rodríguez-Lagunas 2...
7ZU9
CRYSTAL STRUCTURE OF THE C89A_C113A GMP SYNTHETASE INACTIVE DOUBLE MUTANT FROM PLASMODIUM FALCIPARUM
Citation: Ballut, L.; Violot, S.; Galisson, F.; Gonçalves, I.R.; Martin, J.; Shivakumaraswamy, S.; Carrique, L.; Balaram, H.; Aghajari, N. Tertiary and Quaternary Structure Organization in GMP Synthetases: Implications for Catalysis. Biomolecules 2022, 12, 871. https://doi.org/10.3390/ biom12070871 Academic Editor: Bea...
7ZUB
Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex
Article https://doi.org/10.1038/s41467-022-34773-w Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex Jakub Gruszczyk 1 , Loïc Grandvuillemin1, Josephine Lai-Kee-Him1, Matteo Paloni 1, Christos G. Savva2, Pierre Germain1, Marina Grimaldi3, Abdelhay Boulahtouf3, Hok-Sau Kwong1, Julien Bous 4, Auréli...
7ZUF
Saccharomyces cerevisiae L-BC virus, open particle, C5 reconstruction
ARTICLE Structures of L-BC virus and its open particle provide insight into Totivirus capsid assembly Danyil Grybchuk 1, Michaela Procházková1, Tibor Füzik 1, Aleksandras Konovalovas2, Saulius Serva 2, Vyacheslav Yurchenko3 & Pavel Plevka 1✉ L-BC virus persists in the budding yeast Saccharomyces cerevisiae, whereas oth...
7ZUH
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) Streptococcus pneumoniae R6
Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with β-Lactones Parker L. Flanders, Department of Medicinal Chemistry, University of Minnesota, Minneapolis, Minnesota 55454, United States Carlos Contreras-Martel, Université Grenoble Alpes, CNRS, CEA, Institut de B...
7ZUI
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 5Az - Streptococcus pneumoniae R6
Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with β-Lactones Parker L. Flanders, Department of Medicinal Chemistry, University of Minnesota, Minneapolis, Minnesota 55454, United States Carlos Contreras-Martel, Université Grenoble Alpes, CNRS, CEA, Institut de B...
7ZUJ
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 6Az - Streptococcus pneumoniae R6
Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with β-Lactones Parker L. Flanders, Department of Medicinal Chemistry, University of Minnesota, Minneapolis, Minnesota 55454, United States Carlos Contreras-Martel, Université Grenoble Alpes, CNRS, CEA, Institut de B...
7ZUK
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 7Az - Streptococcus pneumoniae R6
Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with β-Lactones Parker L. Flanders, Department of Medicinal Chemistry, University of Minnesota, Minneapolis, Minnesota 55454, United States Carlos Contreras-Martel, Université Grenoble Alpes, CNRS, CEA, Institut de B...
7ZUL
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with 8Az lactone - Streptococcus pneumoniae R6
Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with β-Lactones Parker L. Flanders, Department of Medicinal Chemistry, University of Minnesota, Minneapolis, Minnesota 55454, United States Carlos Contreras-Martel, Université Grenoble Alpes, CNRS, CEA, Institut de B...
7ZUP
Human PRMT5:MEP50 structure with Fragment (Example 18) and MTA Bound
RSC Medicinal Chemistry RESEARCH ARTICLE Cite this: RSC Med. Chem., 2022, 13, 1549 Received 27th May 2022, Accepted 27th August 2022 DOI: 10.1039/d2md00163b rsc.li/medchem Fragment optimization and elaboration strategies – the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits† Christopher R. ...
7ZUQ
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
RSC Medicinal Chemistry RESEARCH ARTICLE Cite this: RSC Med. Chem., 2022, 13, 1549 Received 27th May 2022, Accepted 27th August 2022 DOI: 10.1039/d2md00163b rsc.li/medchem Fragment optimization and elaboration strategies – the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits† Christopher R. ...
7ZUR
Four carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
Citation: Bazzicalupi, C.; Bonardi, A.; Biver, T.; Ferraroni, M.; Papi, F.; Savastano, M.; Lombardi, P.; Gratteri, P. Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis. Int. J. Mol. Sci. 2022, 23, 14061. https://do...
7ZUU
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
RSC Medicinal Chemistry RESEARCH ARTICLE Cite this: RSC Med. Chem., 2022, 13, 1549 Received 27th May 2022, Accepted 27th August 2022 DOI: 10.1039/d2md00163b rsc.li/medchem Fragment optimization and elaboration strategies – the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits† Christopher R. ...
7ZUW
Structure of RQT (C1) bound to the stalled ribosome in a disome unit from S. cerevisiae
Article https://doi.org/10.1038/s41467-023-36230-8 Structural basis for clearing of ribosome collisions by the RQT complex Katharina Best1, Ken Ikeuchi 1, Lukas Kater1,2, Daniel Best1, Joanna Musial1, Yoshitaka Matsuo 3, Otto Berninghausen1, Thomas Becker1, Toshifumi Inada3 & Roland Beckmann 1 Translation of aberrant m...
7ZUX
Collided ribosome in a disome unit from S. cerevisiae
Article https://doi.org/10.1038/s41467-023-36230-8 Structural basis for clearing of ribosome collisions by the RQT complex Katharina Best1, Ken Ikeuchi 1, Lukas Kater1,2, Daniel Best1, Joanna Musial1, Yoshitaka Matsuo 3, Otto Berninghausen1, Thomas Becker1, Toshifumi Inada3 & Roland Beckmann 1 Translation of aberrant m...
7ZUY
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
RSC Medicinal Chemistry RESEARCH ARTICLE Cite this: RSC Med. Chem., 2022, 13, 1549 Received 27th May 2022, Accepted 27th August 2022 DOI: 10.1039/d2md00163b rsc.li/medchem Fragment optimization and elaboration strategies – the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits† Christopher R. ...
7ZV2
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
RSC Medicinal Chemistry RESEARCH ARTICLE Cite this: RSC Med. Chem., 2022, 13, 1549 Received 27th May 2022, Accepted 27th August 2022 DOI: 10.1039/d2md00163b rsc.li/medchem Fragment optimization and elaboration strategies – the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits† Christopher R. ...
7ZV3
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0472
RESEARCH PAPER Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors Ute F. R€ohriga† , Somi Reddy Majjigapua,b† , Pierre Vogelb , Aline Reynaudc , Florence Pojerc , Nahzli Dileka , Patrick Reichenbachd, Kelly Ascenc¸~aoa , Melita Irvingd , George Coukosd , Olivier Michielina,e and V...
7ZV5
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 4
Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID- 19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its C...
7ZV7
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 57
Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID- 19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its C...
7ZV8
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58
Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID- 19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its C...
7ZVA
Crystal Structure of the native zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 1.80 A resolution.
nature communications Article https://doi.org/10.1038/s41467-022-32215-1 Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy Laura del Amo-Maestro1,4, Soraia R. Mendes 1,4, Arturo Rodríguez-Banqueri1, Laura Garzon-Flores 1, Marina Girbal2,3, María José Rodríguez-Lagunas 2...
7ZVB
Crystal Structure of the mature form of the glutamic-class prolyl-endopeptidase neprosin at 2.35 A resolution.
nature communications Article https://doi.org/10.1038/s41467-022-32215-1 Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy Laura del Amo-Maestro1,4, Soraia R. Mendes 1,4, Arturo Rodríguez-Banqueri1, Laura Garzon-Flores 1, Marina Girbal2,3, María José Rodríguez-Lagunas 2...
7ZVC
Second crystal form of the mature glutamic-class prolyl-endopeptidase neprosin at 1.85 A resolution.
nature communications Article https://doi.org/10.1038/s41467-022-32215-1 Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy Laura del Amo-Maestro1,4, Soraia R. Mendes 1,4, Arturo Rodríguez-Banqueri1, Laura Garzon-Flores 1, Marina Girbal2,3, María José Rodríguez-Lagunas 2...
7ZVD
K89 acetylated glucose-6-phosphate dehydrogenase (G6PD) in a complex with structural NADP+
Article https://doi.org/10.1038/s41467-023-41895-2 Acetylation-dependent coupling between G6PD activity and apoptotic signaling Fang Wu1, Natali H. Muskat1, Inbar Dvilansky2, Omri Koren3, Anat Shahar4, Roi Gazit 3,5, Natalie Elia2,5 & Eyal Arbely 1,2,5 Lysine acetylation has been discovered in thousands of non-histone ...
7ZVE
K403 acetylated glucose-6-phosphate dehydrogenase (G6PD)
Article https://doi.org/10.1038/s41467-023-41895-2 Acetylation-dependent coupling between G6PD activity and apoptotic signaling Fang Wu1, Natali H. Muskat1, Inbar Dvilansky2, Omri Koren3, Anat Shahar4, Roi Gazit 3,5, Natalie Elia2,5 & Eyal Arbely 1,2,5 Lysine acetylation has been discovered in thousands of non-histone ...
7ZVF
Crystal structure of human cathepsin L in complex with covalently bound CLIK148
Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors Published as part of Journal of Medicinal Chemistry virtual special issue “Exploring Covalent Modulators in Drug Discovery and Chemical Biology”. Sven Falke,* Julia Lieske, Alexander Herrmann, Jure Loboda, Katarina Karničar, Sebastian Gü...
7ZVI
Non-canonical Staphylococcus aureus pathogenicity island repression
Published online 6 October 2022 Nucleic Acids Research, 2022, Vol. 50, No. 19 11109–11127 https://doi.org/10.1093/nar/gkac855 Non-canonical Staphylococcus aureus pathogenicity island repression Laura Miguel-Romero1,2,†, Mohammed Alqasmi2,3,†, Julio Bacarizo1,4, Jason A. Tan5, Richard J. Cogdell6, John Chen7, Olwyn Byro...
7ZVJ
Homodimeric structure of LARGE1
RESEARCH ARTICLE Structural basis for matriglycan synthesis by the LARGE1 dual glycosyltransferase Michael Katz, Ron DiskinID* Department of Chemical and Structural Biology, Weizmann Institute of Science, Rehovot, Israel * ron.diskin@weizmann.ac.il Abstract LARGE1 is a bifunctional glycosyltransferase responsible for g...
7ZVL
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
RSC Medicinal Chemistry RESEARCH ARTICLE Cite this: RSC Med. Chem., 2022, 13, 1549 Received 27th May 2022, Accepted 27th August 2022 DOI: 10.1039/d2md00163b rsc.li/medchem Fragment optimization and elaboration strategies – the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits† Christopher R. ...
7ZVM
Thermococcus barophilus phosphomannose isomerase protein structure at 1.6 A
  Citation: Caliò, A.; Dubois, C.; Fontanay, S.; Koza, M.M.; Hoh, F.; Roumestand, C.; Oger, P.; Peters, J. Unravelling the Adaptation Mechanisms to High Pressure in Proteins. Int. J. Mol. Sci. 2022, 23, 8469. https://doi.org/10.3390/ ijms23158469 Academic Editor: Istvan Simon Received: 6 July 2022 Accep...
7ZVN
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution
Published online 17 September 2022 Nucleic Acids Research, 2023, Vol. 51, No. 3 1409–1423 https://doi.org/10.1093/nar/gkac774 Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding Malwina Hyjek-Składanowska1, Brooke A. Anderson2, Vitaliy Mykhaylyk3, Christian O...
7ZVO
Structure of CBM BT0996-C from Bacteroides thetaiotaomicron
Journal of Structural Biology: X 7 (2023) 100084 Available online 2 January 2023 2590-1524/© 2022 Published by Elsevier Inc. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). The structure of a Bacteroides thetaiotaomicron carbohydrate-binding module provides new ins...
7ZVP
Crystal structure of poplar glutathione transferase U19 in complex with glutathione
Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids Elodie Sylvestre-Gonon 1, Laura Morette 1,2, Morgane Viloria 2, Sandrine Mathiot 2, Alexis Boutilliat 1, Frédérique Favier 2, Nicolas Rouhier 1, Claude Didierjean 2* and Arnaud Hecker 1* 1Université d...
7ZVS
Crystal structure of the Schistosoma mansoni VKR2 kinase domain in an active-like state (ADP-bound)
Identification of Inhibitors of the Schistosoma mansoni VKR2 Kinase Domain Indran Mathavan,■Lawrence J. Liu,■Sean W. Robinson, Nelly El-Sakkary, Adam Jo J. Elatico, Darwin Gomez, Ricky Nellas, Raymond J. Owens, William Zuercher, Iva Navratilova, Conor R. Caffrey,* and Konstantinos Beis* Cite This: ACS Med. Chem. Lett. ...
7ZVT
CryoEM structure of Ku heterodimer bound to DNA
Nucleic Acids Research , 2023, 51 , 11732–11747 https://doi.org/10.1093/nar/gkad863 Advance access publication date: 23 October 2023 Genome integrity, repair and replication Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF int er action Antonia Kefala ...
7ZVU
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
RSC Medicinal Chemistry RESEARCH ARTICLE Cite this: RSC Med. Chem., 2022, 13, 1549 Received 27th May 2022, Accepted 27th August 2022 DOI: 10.1039/d2md00163b rsc.li/medchem Fragment optimization and elaboration strategies – the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits† Christopher R. ...
7ZVX
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 2.4 A resolution
Published online 17 September 2022 Nucleic Acids Research, 2023, Vol. 51, No. 3 1409–1423 https://doi.org/10.1093/nar/gkac774 Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding Malwina Hyjek-Składanowska1, Brooke A. Anderson2, Vitaliy Mykhaylyk3, Christian O...
7ZVY
Thermococcus kadokarensis phosphomannose isomerase
  Citation: Caliò, A.; Dubois, C.; Fontanay, S.; Koza, M.M.; Hoh, F.; Roumestand, C.; Oger, P.; Peters, J. Unravelling the Adaptation Mechanisms to High Pressure in Proteins. Int. J. Mol. Sci. 2022, 23, 8469. https://doi.org/10.3390/ ijms23158469 Academic Editor: Istvan Simon Received: 6 July 2022 Accep...
7ZVZ
Cytochrome c prime beta from Methylococcus capsulatus (Bath): Chemically Reduced Ferrous Form
A heme pocket aromatic quadrupole modulates gas binding to cytochrome c0-β: Implications for NO sensors Received for publication, January 24, 2023, and in revised form, April 15, 2023 Published, Papers in Press, April 24, 2023, https://doi.org/10.1016/j.jbc.2023.104742 Hannah R. Adams1 , Dimitri A. Svistunenko1 , Micha...
7ZW1
Human PRPH2-ROM1 hetero-dimer
El Mazouni and Gros, Sci. Adv. 8, eadd3677 (2022) 9 November 2022 SCIE N C E A D V A NCES | RESEA R CH A RT ICL E 1 of 8 ST RUCTURAL B IOL OG Y Cryo-EM structures of peripherin-2 and ROM1 suggest multiple roles in photoreceptor membrane morphogenesis Dounia El Mazouni and Piet Gros* Mammalian peripherin-2 (PRP...
7ZW3
Crystal Structure of human MAO B in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide (inhibitor 19)
ORIGINAL ARTICLE 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases Damijan Kneza,y, Daniel Diez-Iriepab,c,y, Mourad Chiouab,c,y, Andrea Gottingerd, Milica Denice, Fabien Chantegreile, Florian Nachone, Xavier Brazzolottoe, Anna Skrzypczak-Wierciochf, Anze Medena, Anja Pi...
7ZW6
Oligomeric structure of SynDLP
Article https://doi.org/10.1038/s41467-023-37746-9 SynDLP is a dynamin-like protein of Syne- chocystis sp. PCC 6803 with eukaryotic features Lucas Gewehr1,8, Benedikt Junglas 2,3,8, Ruven Jilly1, Johannes Franz4, Wenyu Eva Zhu1, Tobias Weidner 5, Mischa Bonn 4, Carsten Sachse 2,3,6 & Dirk Schneider 1,7 Dynamin-like pro...
7ZW9
Crystal structure of a gamma-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei
Biochemical, structural, and computational studies of a c-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei Anna Di Fiore a,⇑, Viviana De Luca b, Emma Langella a, Alessio Nocentini c, Martina Buonanno a, Simona Maria Monti a, Claudiu T. Supuran c, Clemente Capasso b, Giuseppina De Simone a,⇑ a ...
7ZWA
CryoEM structure of Ku heterodimer bound to DNA and PAXX
ST RUCTURAL BIOLOGY PAXX binding to the NHEJ machinery explains functional redundancy with XLF Murielle Seif-El-Dahan1†, Antonia Kefala-Stavridi2†‡, Philippe Frit3†, Steven W. Hardwick4†, Dima Y. Chirgadze4, Taiana Maia De Oliviera5, Jessica Andreani1, Sébastien Britton3, Nadia Barboule3, Madeleine Bossaert3, A...
7ZWC
Structure of SNAPc:TBP-TFIIA-TFIIB sub-complex bound to U5 snRNA promoter
Nature Structural & Molecular Biology | Volume 29 | December 2022 | 1159–1169 1159 nature structural & molecular biology https://doi.org/10.1038/s41594-022-00857-w Article Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II Srinivasan Rengachari1, Sandra Schilbach    1, Thangavelu K...
7ZWD
Structure of SNAPc containing Pol II pre-initiation complex bound to U5 snRNA promoter (CC)
Nature Structural & Molecular Biology | Volume 29 | December 2022 | 1159–1169 1159 nature structural & molecular biology https://doi.org/10.1038/s41594-022-00857-w Article Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II Srinivasan Rengachari1, Sandra Schilbach    1, Thangavelu K...
7ZWE
The Crystal structure of GW8695 bound to CK2alpha
Nature Chemical Biology | Volume 20 | May 2024 | 577–585 577 nature chemical biology https://doi.org/10.1038/s41589-023-01459-3 Article Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors Maria Reinecke1,2, Paul Brear    3, Larsen Vornholz    4,5, Benedict-Tilmann Berger    6,7, Florian Seefri...
7ZWF
Pfs48/45 bound to scFv fragment of monoclonal antibody 32F3
Article https://doi.org/10.1038/s41467-022-33379-6 Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies Kuang-Ting Ko1,2,6, Frank Lennartz1,6, David Mekhaiel 3,6, Bora Guloglu 1,2, Arianna Marini3, Danielle J. Deuker3, Carole A. Long4, Matthijs M. Jore 5, Kazutoyo ...
7ZWG
The Crystal structure of RO4493940 bound to CK2alpha
Nature Chemical Biology | Volume 20 | May 2024 | 577–585 577 nature chemical biology https://doi.org/10.1038/s41589-023-01459-3 Article Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors Maria Reinecke1,2, Paul Brear    3, Larsen Vornholz    4,5, Benedict-Tilmann Berger    6,7, Florian Seefri...
7ZWI
Pfs48/45 C-terminal domain bound to fab fragment of monoclonal antibody 32F3
Article https://doi.org/10.1038/s41467-022-33379-6 Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies Kuang-Ting Ko1,2,6, Frank Lennartz1,6, David Mekhaiel 3,6, Bora Guloglu 1,2, Arianna Marini3, Danielle J. Deuker3, Carole A. Long4, Matthijs M. Jore 5, Kazutoyo ...
7ZWM
Pfs48/45 central and C-terminal domains bound to Fab fragments of monoclonal antibody 10D8 and 32F3
Article https://doi.org/10.1038/s41467-022-33379-6 Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies Kuang-Ting Ko1,2,6, Frank Lennartz1,6, David Mekhaiel 3,6, Bora Guloglu 1,2, Arianna Marini3, Danielle J. Deuker3, Carole A. Long4, Matthijs M. Jore 5, Kazutoyo ...
7ZWN
Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....
7ZWO
Crystal structure of human BCL6 BTB domain in complex with compound 2
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....
7ZWP
Crystal structure of human BCL6 BTB domain in complex with compound 7
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....
7ZWQ
Crystal structure of human BCL6 BTB domain in complex with compound 10
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....
7ZWR
Crystal structure of human BCL6 BTB domain in complex with compound 11
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....
7ZWS
Crystal structure of human BCL6 BTB domain in complex with compound 13
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....
7ZWT
Crystal structure of human BCL6 BTB domain in complex with compound 14
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....
7ZWU
Crystal structure of human BCL6 BTB domain in complex with compound 15
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....
7ZWV
Crystal structure of human BCL6 BTB domain in complex with compound 17
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....
7ZWW
Crystal structure of human BCL6 BTB domain in complex with compound 18
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....
7ZWX
Crystal structure of human BCL6 BTB domain in complex with compound 19
1 Vol.:(0123456789) Scientific Reports | (2022) 12:18633 | https://doi.org/10.1038/s41598-022-23264-z www.nature.com/scientificreports Discovering cell‑active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X‑ray crystallography and cell‑based assays Olivier A....