8FPT
 
 | | STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE | | Descriptor: | Alpha-synuclein | | Authors: | Barclay, A.M, Dhavale, D.D, Borcik, C.G, Rau, M.J, Basore, K, Milchberg, M.H, Warmuth, O.A, Kotzbauer, P.T, Rienstra, C.M, Schwieters, C.D. | | Deposit date: | 2023-01-05 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structure of alpha-synuclein fibrils derived from human Lewy body dementia tissue.
Biorxiv, 2023
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7BSN
 | | Mevo lectin complex with 3alpha-mannobiose | | Descriptor: | alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose, lectin | | Authors: | Sivaji, N, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 2020-03-31 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and related studies on Mevo lectin from Methanococcus voltae A3: the first thorough characterization of an archeal lectin and its interactions.
Glycobiology, 31, 2021
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7BT9
 | | Mevo lectin complex with alpha-mannose | | Descriptor: | alpha-D-mannopyranose, lectin | | Authors: | Sivaji, N, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 2020-03-31 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural and related studies on Mevo lectin from Methanococcus voltae A3: the first thorough characterization of an archeal lectin and its interactions.
Glycobiology, 31, 2021
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7NVP
 | | Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ... | | Authors: | Battista, T, Fiorillo, A, Colotti, G, Ilari, A. | | Deposit date: | 2021-03-15 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.153 Å) | | Cite: | Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach.
Acs Infect Dis., 8, 2022
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6P98
 | | OXA-48 carbapanemase, meropenem complex | | Descriptor: | Beta-lactamase, CADMIUM ION, CALCIUM ION, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2019-06-10 | | Release date: | 2019-08-07 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
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6P93
 | | Human APE1 K98A AP-endonuclease product complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Whitaker, A.W, Stark, W.J, Freudenthal, B.D. | | Deposit date: | 2019-06-09 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance.
Mutagenesis, 35, 2020
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6WFK
 | | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6MK7
 | | Solution structure of the large extracellular loop of FtsX in Streptococcus pneumoniae | | Descriptor: | Cell division protein FtsX | | Authors: | Edmonds, K.A, Fu, Y, Wu, H, Rued, B.E, Bruce, K.E, Winkler, M.E, Giedroc, D.P. | | Deposit date: | 2018-09-25 | | Release date: | 2019-02-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae.
MBio, 10, 2019
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6VDP
 | | Crystal structure of SfmD truncated variant | | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | | Authors: | Shin, I, Liu, A. | | Deposit date: | 2019-12-27 | | Release date: | 2021-03-10 | | Last modified: | 2021-07-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study.
Chem Sci, 12, 2021
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6ZWR
 | | p38a bound with SR92 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-07-28 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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6WID
 | | Nucleotide incorporation intermediate into quaternary complex of human Polymerase Mu on a complementary DNA double-strand break substrate | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kaminski, A.M, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | | Deposit date: | 2020-04-09 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural snapshots of human DNA polymerase mu engaged on a DNA double-strand break.
Nat Commun, 11, 2020
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5M4U
 | | ORTHORHOMBIC COMPLEX STRUCTURE OF HUMAN PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') WITH THE INHIBITOR 4'-CARBOXY-6,8-CHLORO- FLAVONOL (FLC21) | | Descriptor: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | | Deposit date: | 2016-10-19 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Pharmaceuticals, 10, 2017
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6VDZ
 | | Crystal structure of reduced SfmD by soaking with sodium hydrosulfite | | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | | Authors: | Shin, I, Liu, A. | | Deposit date: | 2019-12-27 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study.
Chem Sci, 12, 2021
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6VE0
 | | Crystal structure of reduced SfmD by soaking with sodium hydrosulfite | | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | | Authors: | Shin, I, Liu, A. | | Deposit date: | 2019-12-27 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study.
Chem Sci, 12, 2021
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6VDQ
 | | Crystal structure of SfmD | | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | | Authors: | Shin, I, Liu, A. | | Deposit date: | 2019-12-27 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study.
Chem Sci, 12, 2021
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8FNE
 | | phiPA3 PhuN Tetramer, p2 | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, PhuN | | Authors: | Nieweglowska, E.S, Brilot, A.F, Mendez-Moran, M, Kokontis, C, Baek, M, Li, J, Cheng, Y, Baker, D, Bondy-Denomy, J, Agard, D.A. | | Deposit date: | 2022-12-27 | | Release date: | 2023-03-01 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice.
Nat Commun, 14, 2023
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6WMB
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8U5J
 | | Structure of Mango III variant aptamer bound to T01-07M-B | | Descriptor: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium, DIMETHYL SULFOXIDE, Mango III variant, ... | | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | Deposit date: | 2023-09-12 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Mango III variant aptamer bound to T01-07M-B
To Be Published
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6WJO
 | | Crystal structure of wild-type Arginine Repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to tyrosine | | Descriptor: | Arginine repressor, SODIUM ION, SULFATE ION, ... | | Authors: | Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B. | | Deposit date: | 2020-04-14 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor.
Biochim Biophys Acta Gen Subj, 1864, 2020
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7A01
 | | The Halastavi arva virus intergenic region IRES promotes translation by the simplest possible initiation mechanism | | Descriptor: | 18S RIBOSOMAL RNA, 28S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN ES21, ... | | Authors: | Abaeva, I, Vicens, Q, Bochler, A, Soufari, H, Simonetti, A, Pestova, T.V, Hashem, Y, Hellen, C.U.T. | | Deposit date: | 2020-08-05 | | Release date: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The Halastavi arva Virus Intergenic Region IRES Promotes Translation by the Simplest Possible Initiation Mechanism.
Cell Rep, 33, 2020
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8DF8
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7NT7
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6NDO
 | | Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP mutant L193N from Xanthomonas campestris | | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome | | Authors: | Otero, L.H, Sirigu, S, Klinke, S, Rinaldi, J, Conforte, V, Malamud, F, Goldbaum, F.A, Chavas, L, Bonomi, H.R. | | Deposit date: | 2018-12-14 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.58 Å) | | Cite: | Pr-favoured variants of the bacteriophytochrome from the plant pathogen Xanthomonas campestris hint on light regulation of virulence-associated mechanisms.
Febs J., 288, 2021
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8DEN
 | | Heme-Free Cytochrome Variant ApoCyt | | Descriptor: | Soluble cytochrome b562 | | Authors: | Hoffnagle, A.H, Eng, V.H, Tezcan, F.A. | | Deposit date: | 2022-06-20 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Computationally Guided Redesign of a Heme-free Cytochrome with Native-like Structure and Stability.
Biochemistry, 61, 2022
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5J8A
 | | Structure of the E coli 70S ribosome with the U1052G mutation in 16S rRNA bound to tigecycline | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... | | Authors: | Cocozaki, A, Ferguson, A. | | Deposit date: | 2016-04-07 | | Release date: | 2016-07-06 | | Last modified: | 2016-08-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
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