7QWY
| BAZ2A bromodomain in complex with acetylpyrrole derivative compound 61 | Descriptor: | 1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-26 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.443 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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6YLZ
| X-ray structure of the K72I,Y129F,R133L, H199A quadruple mutant of PNP-oxidase from E. coli | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | Authors: | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | Deposit date: | 2020-04-07 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.558 Å) | Cite: | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase. J.Biol.Chem., 296, 2021
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6SPE
| Pseudomonas aeruginosa 30s ribosome from a clinical isolate | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A. | Deposit date: | 2019-09-01 | Release date: | 2019-10-16 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate. Proc.Natl.Acad.Sci.USA, 116, 2019
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8FG1
| Human diaphanous inhibitory domain bound to diaphanous autoregulatory domain | Descriptor: | Protein diaphanous homolog 1 | Authors: | Ramirez, L.M.S, Theophall, G, Premo, A, Manigrasso, M, Yepuri, G, Burz, D, Ramasamy, R, Schmidt, A.M, Shekhtman, A. | Deposit date: | 2022-12-12 | Release date: | 2023-10-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Disruption of the productive encounter complex results in dysregulation of DIAPH1 activity. J.Biol.Chem., 299, 2023
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7QGE
| H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6,7,8-TETRABROMOBENZOTRIAZOLE (TBBt) AT PH 8.5 | Descriptor: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | Deposit date: | 2021-12-08 | Release date: | 2022-10-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes. Sci Rep, 12, 2022
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6N2V
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6YMH
| X-ray structure of the K72I, Y129F, R133L, H199A quadruple mutant of PNP-oxidase from E. coli in complex with PLP | Descriptor: | FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | Authors: | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | Deposit date: | 2020-04-08 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.417 Å) | Cite: | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase. J.Biol.Chem., 296, 2021
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6YPW
| Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide | Descriptor: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2020-04-16 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors. J.Med.Chem., 64, 2021
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7QY5
| Crystal structure of the S.pombe Ars2-Red1 complex. | Descriptor: | NURS complex subunit pir2, RNA elimination defective protein Red1, ZINC ION | Authors: | Foucher, A.E, Kadlec, J. | Deposit date: | 2022-01-27 | Release date: | 2022-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural analysis of Red1 as a conserved scaffold of the RNA-targeting MTREC/PAXT complex. Nat Commun, 13, 2022
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7Q6N
| Structure of WrbA from Salmonella Typhimurium bound to ME0052 | Descriptor: | 2-azanyl-4,6-bis(bromanyl)phenol, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone), ... | Authors: | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | Deposit date: | 2021-11-08 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds. Microbiology (Reading, Engl.), 168, 2022
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6N4C
| EM structure of the DNA wrapping in bacterial open transcription initiation complex | Descriptor: | DNA (94-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Florez-Ariza, A, Cassago, A, de Oliveira, P.S.L, Guerra, D.G, Portugal, R.V. | Deposit date: | 2018-11-19 | Release date: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (17 Å) | Cite: | Interactions of Upstream and Downstream Promoter Regions with RNA Polymerase are Energetically Coupled and a Target of Regulation in Transcription Initiation Biorxiv, 2020
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7QVH
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8PJE
| Human Leukocyte Antigen class II allotype DR1 presenting influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAT | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Hesketh, S.J, Cole, D.K, Rizkallah, P.J, Godkin, A.J. | Deposit date: | 2023-06-23 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation. Cell Rep, 43, 2024
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6Y1U
| Mycobacterium tuberculosis FtsZ-GDP in complex with 4-hydroxycoumarin | Descriptor: | 4-HYDROXY-2H-CHROMEN-2-ONE, Cell division protein FtsZ, DIMETHYL SULFOXIDE, ... | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | Deposit date: | 2020-02-13 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ. J.Mol.Biol., 433, 2021
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6SPC
| Pseudomonas aeruginosa 30s ribosome from an aminoglycoside resistant clinical isolate | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A. | Deposit date: | 2019-09-01 | Release date: | 2019-10-16 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate. Proc.Natl.Acad.Sci.USA, 116, 2019
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6Y1T
| The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification | Descriptor: | 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Ortmayer, M, Levy, C, Green, A.P. | Deposit date: | 2020-02-13 | Release date: | 2021-06-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase. Jacs Au, 1, 2021
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8PJF
| Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR | Descriptor: | 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Cole, D.K, Rizkallah, P.J, Godkin, A.J. | Deposit date: | 2023-06-23 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation. Cell Rep, 43, 2024
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6YQY
| Crystal structure of sTIM11noCys, a de novo designed TIM barrel | Descriptor: | de novo designed TIM barrel sTIM11noCys | Authors: | Romero-Romero, S, Wiese, G.J, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B. | Deposit date: | 2020-04-18 | Release date: | 2021-07-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.876 Å) | Cite: | The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach. J.Mol.Biol., 433, 2021
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6YQX
| Crystal structure of DeNovoTIM13, a de novo designed TIM barrel | Descriptor: | CHLORIDE ION, GLYCEROL, de novo designed TIM barrel DeNovoTIM13 | Authors: | Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B. | Deposit date: | 2020-04-18 | Release date: | 2021-07-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.638 Å) | Cite: | The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach. J.Mol.Biol., 433, 2021
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7Q7F
| Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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5MQ0
| Structure of a spliceosome remodeled for exon ligation | Descriptor: | 3'-EXON OF UBC4 PRE-MRNA, BOUND BY PRP22 HELICASE, 5'-EXON OF UBC4 PRE-MRNA, ... | Authors: | Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K. | Deposit date: | 2016-12-19 | Release date: | 2017-01-18 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (4.17 Å) | Cite: | Structure of a spliceosome remodelled for exon ligation. Nature, 542, 2017
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7NQE
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8PJG
| F11 TCR in complex with Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Cole, D.K, Rizkallah, P.J, Godkin, A.J. | Deposit date: | 2023-06-23 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation. Cell Rep, 43, 2024
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7Q7O
| Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure after high helium gas pressure release | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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6YQ5
| Hybrid structure of the SPP1 tail tube by solid-state NMR and cryo EM - NMR Ensemble | Descriptor: | Tail tube protein gp17.1* | Authors: | Zinke, M, Sachowsky, K.A.A, Zinn-Justin, S, Ravelli, R, Schroder, G.F, Habeck, M, Lange, A. | Deposit date: | 2020-04-16 | Release date: | 2020-10-14 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR | Cite: | Architecture of the flexible tail tube of bacteriophage SPP1. Nat Commun, 11, 2020
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