8FEC
 
 | | Structure of J-PKAc chimera complexed with Aplithianine derivative | | Descriptor: | 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-06 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 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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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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6NLM
 | | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 15) | | Descriptor: | 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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7PSG
 | | Structure of the ligand binding domain of the PacA (ECA2226) chemoreceptor of Pectobacterium atrosepticum SCRI1043 in complex with betaine. | | Descriptor: | GLYCEROL, Methyl-accepting chemotaxis protein, TRIMETHYL GLYCINE | | Authors: | Gavira, J.A, Matilla, M.A, Velando, F, Krell, T. | | Deposit date: | 2021-09-23 | | Release date: | 2022-05-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Mbio, 13, 2022
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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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6PZE
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8FDO
 | | SARS-CoV-2 fusion peptide epitope scaffold FP15 bound to DH1058 | | Descriptor: | DH1058 Heavy chain, DH1058 Light chain, FP15 | | Authors: | Kapingidza, A.B, Marston, D.J, Wrapp, D, Winters, K, Azoitei, M.L. | | Deposit date: | 2022-12-04 | | Release date: | 2023-10-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
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7P2C
 | | F(M197)H mutant structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 26keV) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ... | | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Guenther, S, Meents, A, Fufina, T.Y, Vasilieva, L.G. | | Deposit date: | 2021-07-05 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | X-ray structure of the Rhodobacter sphaeroides reaction center with an M197 Phe→His substitution clarifies the properties of the mutant complex.
Iucrj, 9, 2022
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7OMT
 | | Crystal structure of ProMacrobody 21 with bound maltose | | Descriptor: | HEXAETHYLENE GLYCOL, MAGNESIUM ION, ProMacrobody 21, ... | | Authors: | Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M. | | Deposit date: | 2021-05-24 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
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6NPR
 | | Crystal structure of H-2Dd with C84-C139 disulfide in complex with gp120 derived peptide P18-I10 | | Descriptor: | ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Toor, J, McShan, A.C, Tripathi, S.M, Sgourakis, N.G. | | Deposit date: | 2019-01-18 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7O9S
 | | Hantaan virus Gn in complex with Fab nnHTN-Gn2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, Fab nnHTN-Gn2 Heavy chain, ... | | Authors: | Rissanen, I, Bowden, T.A, Huiskonen, J.T, Stass, R. | | Deposit date: | 2021-04-16 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis for a Neutralizing Antibody Response Elicited by a Recombinant Hantaan Virus Gn Immunogen.
Mbio, 12, 2021
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6NSO
 | | An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, IRON/SULFUR CLUSTER, Quinolinate synthase A | | Authors: | Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J. | | Deposit date: | 2019-01-25 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
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6VMY
 | | Structure of the B. subtilis cobalamin riboswitch | | Descriptor: | Adenosylcobalamin, B. subtilis cobalamin riboswitch, COBALT HEXAMMINE(III), ... | | Authors: | Chan, C.W, Mondragon, A. | | Deposit date: | 2020-01-28 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structure of an atypical cobalamin riboswitch reveals RNA structural adaptability as basis for promiscuous ligand binding.
Nucleic Acids Res., 48, 2020
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6NT3
 | | Cryo-EM structure of a human-cockroach hybrid Nav channel. | | Descriptor: | (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Clairfeuille, T, Rohou, A, Payandeh, J. | | Deposit date: | 2019-01-28 | | Release date: | 2019-02-20 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of a human-cockroach hybrid Nav channel in the presence and absence of the alpha-scorpion toxin AaH2.
Science, 2019
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5MRC
 | | Structure of the yeast mitochondrial ribosome - Class A | | Descriptor: | 15S ribosomal RNA, 21S ribosomal RNA, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Desai, N, Brown, A, Amunts, A, Ramakrishnan, V. | | Deposit date: | 2016-12-22 | | Release date: | 2017-02-15 | | Last modified: | 2018-02-07 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | The structure of the yeast mitochondrial ribosome.
Science, 355, 2017
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8FC2
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and azithromycin at 2.50A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
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8FC5
 | | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and azithromycin at 2.65A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
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7BRD
 | | Crystal structure of Peptidyl-tRNA hydrolase from Klebsiella pneumoniae | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Mundra, S, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | | Deposit date: | 2020-03-27 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Structural and functional characterization of peptidyl-tRNA hydrolase from Klebsiella pneumoniae.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
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7QZR
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8FQU
 | | ADC-219 in complex with boronic acid transition state inhibitor MB076 | | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Maurer, O.L. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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6W6V
 | | Structure of yeast RNase MRP holoenzyme | | Descriptor: | RNA component of RNase MRP NME1, RNases MRP/P 32.9 kDa subunit, Ribonuclease MRP protein subunit RMP1, ... | | Authors: | Perederina, A, Li, D, Lee, H, Bator, C, Berezin, I, Hafenstein, S.L, Krasilnikov, A.S. | | Deposit date: | 2020-03-17 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structure of catalytic ribonucleoprotein complex RNase MRP.
Nat Commun, 11, 2020
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7Q76
 | | Room temperature structure of RNase A at 22 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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8FC3
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and telithromycin at 2.60A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
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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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7Q7N
 | | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 120 MPa helium gas pressure in a sapphire capillary | | 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 (2.87 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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