5AHJ
 
 | | Yeast 20S proteasome in complex with Macyranone A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 20S PROTEASOME, CHLORIDE ION, ... | | Authors: | Etzbach, L, Plaza, A, Dubiella, C, Groll, M, Kaiser, M, Mueller, R. | | Deposit date: | 2015-02-06 | | Release date: | 2015-02-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Macyranones: Structure, Biosynthesis, and Binding Mode of an Unprecedented Epoxyketone that Targets the 20S Proteasome.
J.Am.Chem.Soc., 137, 2015
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6HIX
 | | Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the large mitoribosomal subunit | | Descriptor: | 12S rRNA, 50S ribosomal protein L13, putative, ... | | Authors: | Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, K, Leitner, A, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2018-08-31 | | Release date: | 2018-09-26 | | Last modified: | 2019-02-06 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
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8FE2
 | | Structure of J-PKAc chimera complexed with Aplithianine A | | Descriptor: | 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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5ALB
 | | Ticagrelor antidote candidate MEDI2452 in complex with ticagrelor | | Descriptor: | MEDI2452 HEAVY CHAIN, MEDI2452 LIGHT CHAIN, Ticagrelor | | Authors: | Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S. | | Deposit date: | 2015-03-07 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural and Functional Characterisation of a Specific Antidote for Ticagrelor.
Blood, 125, 2015
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5MLR
 | | Plantago Major multifunctional oxidoreductase V150M mutant in complex with citral and NADP+ | | Descriptor: | CHLORIDE ION, Geranaldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Fellows, R, Russo, C.M, Lee, S.G, Jez, J.M, Chisholm, J.D, Zubieta, C, Nanao, M. | | Deposit date: | 2016-12-07 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | A multisubstrate reductase from Plantago major: structure-function in the short chain reductase superfamily.
Sci Rep, 8, 2018
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6F06
 | | CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide | | Descriptor: | (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, CHLORIDE ION, Cathepsin L1, ... | | Authors: | Kuglstatter, A, Stihle, M. | | Deposit date: | 2017-11-17 | | Release date: | 2018-04-11 | | Last modified: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
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6SQW
 | | Mouse dCTPase in complex with 5-Me-dCMP | | Descriptor: | 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1 | | Authors: | Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P. | | Deposit date: | 2019-09-04 | | Release date: | 2020-01-29 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
J.Mol.Biol., 432, 2020
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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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7ZYH
 | | Crystal structure of human CPSF30 in complex with hFip1 | | Descriptor: | Cleavage and polyadenylation specificity factor subunit 4, Isoform 4 of Pre-mRNA 3'-end-processing factor FIP1, ZINC ION | | Authors: | Muckenfuss, L.M, Jinek, M, Migenda Herranz, A.C, Clerici, M. | | Deposit date: | 2022-05-24 | | Release date: | 2022-09-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fip1 is a multivalent interaction scaffold for processing factors in human mRNA 3' end biogenesis.
Elife, 11, 2022
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6SR4
 | | X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 112 fs time delay | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Kloos, M, Gorel, A, Nass, K. | | Deposit date: | 2019-09-04 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
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6SRB
 | | Crystal structure of glutathione transferase Omega 3C from Trametes versicolor | | Descriptor: | GLUTATHIONE, Uncharacterized protein | | Authors: | Schwartz, M, Favier, F, Didierjean, C. | | Deposit date: | 2019-09-05 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Diversity of Omega Glutathione Transferases in mushroom-forming fungi revealed by phylogenetic, transcriptomic, biochemical and structural approaches.
Fungal Genet Biol., 148, 2021
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8FZW
 | | Thaumatin crystallized in cyclic olefin copolymer-based microfluidic chips | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L. | | Deposit date: | 2023-01-30 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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6SRL
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3MR9
 | | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide M5A variant | | Descriptor: | 9-meric peptide from Tegument protein pp65, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure of MHC class I HLA-A2 molecule complexed with short peptide
To be Published
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4LMO
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3MRH
 | | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide N3S variant | | Descriptor: | 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Reiser, J.-B, Chouquet, A, Le Gorrec, M, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans.
J.Immunol., 193, 2014
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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 | | Descriptor: | 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ... | | Authors: | Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M. | | Deposit date: | 2022-05-16 | | Release date: | 2022-09-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
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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 | | Descriptor: | 1,2-ETHANEDIOL, 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, ... | | Authors: | Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M. | | Deposit date: | 2022-05-17 | | Release date: | 2022-09-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
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3MRP
 | | Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant | | Descriptor: | 10-meric peptide from Melanoma antigen recognized by T-cells 1, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Reiser, J.-B, Chouquet, A, Le Gorrec, M, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant
To be Published
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7K3G
 | | SARS-CoV-2 Envelope Protein Transmembrane Domain: Pentameric Structure Determined by Solid-State NMR | | Descriptor: | Envelope small membrane protein | | Authors: | Mandala, V.S, Hong, M, McKay, M.J, Shcherbakov, A.S, Dregni, A.J. | | Deposit date: | 2020-09-11 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structure and drug binding of the SARS-CoV-2 envelope protein transmembrane domain in lipid bilayers.
Nat.Struct.Mol.Biol., 27, 2020
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5AE6
 | | The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1) in complex with 4-thioxylobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-XYLOSIDASE, ... | | Authors: | Mikkelsen, N.E, Gudmundsson, M, Karkehabadi, S, Hansson, H, Sandgren, M, Larenas, E, Mitchinson, C, Keleman, B, Kaper, T. | | Deposit date: | 2015-08-26 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina
To be Published
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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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8FYM
 | | Crystal structure of Fab235 in complex with MPER peptide | | Descriptor: | ALA-SER-LEU-TRP-ASN-TRP-PHE-ASN-ILE-THR-ASN-TRP-LEU-TRP-TYR-ILE-LYS-LYS-LYS, CHLORIDE ION, Fab235, ... | | Authors: | Tan, K, Kim, M, Reinherz, E.L. | | Deposit date: | 2023-01-26 | | Release date: | 2023-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
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8FWF
 | | Crystal structure of Apo form Fab235 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Tan, K, Kim, M, Reinherz, E.L. | | Deposit date: | 2023-01-21 | | Release date: | 2023-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
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6HYL
 | | Structure of PCM1 LIR motif bound to GABARAP | | Descriptor: | Pericentriolar material 1 protein,Gamma-aminobutyric acid receptor-associated protein | | Authors: | Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D. | | Deposit date: | 2018-10-22 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.559 Å) | | Cite: | Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins.
Nat Commun, 10, 2019
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