5WQX
 
 | | Covalent bond formation of synthetic ligand with hPPARg-LBD | | Descriptor: | 2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | | Deposit date: | 2016-11-29 | | Release date: | 2017-11-22 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand
Bioorg. Med. Chem., 25, 2017
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6DOR
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6QMD
 | | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | | Descriptor: | (3~{R})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2019-02-07 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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5KTV
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5KU1
 | | hMiro1 EF hand and cGTPase domains in the GDP-bound state | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | | Deposit date: | 2016-07-12 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
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6QZO
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6DPI
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5W9P
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6QN0
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6QM2
 | | NlaIV restriction endonuclease | | Descriptor: | POTASSIUM ION, SODIUM ION, Type-2 restriction enzyme NlaIV | | Authors: | Czapinska, H, Siwek, W, Szczepanowski, R.H, Bujnicki, J.M, Bochtler, M, Skowronek, K. | | Deposit date: | 2019-02-01 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure and Directed Evolution of Specificity of NlaIV Restriction Endonuclease.
J.Mol.Biol., 431, 2019
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1EIS
 | | UDA UNCOMPLEXED FORM. CRYSTAL STRUCTURE OF URTICA DIOICA AGGLUTININ, A SUPERANTIGEN PRESENTED BY MHC MOLECULES OF CLASS I AND CLASS II | | Descriptor: | PROTEIN (AGGLUTININ ISOLECTIN VI/AGGLUTININ ISOLECTIN V) | | Authors: | Saul, F.A, Rovira, P, Boulot, G, Van Damme, E.J.M, Peumans, W.J, Truffa-Bachi, P, Bentley, G.A. | | Deposit date: | 2000-02-28 | | Release date: | 2000-06-21 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structure of Urtica dioica agglutinin, a superantigen presented by MHC molecules of class I and class II.
Structure Fold.Des., 8, 2000
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6QNT
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4V47
 | | Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the EF-G.GTP state of E. coli 70S ribosome | | Descriptor: | 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J. | | Deposit date: | 2003-05-06 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (12.3 Å) | | Cite: | Study of the structural dynamics of the E. coli 70S ribosome using real space refinement
Cell(Cambridge,Mass.), 113, 2003
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6QNZ
 | | Crystal structure of the site-specific DNA nickase N.BspD6I E418A Mutant | | Descriptor: | GLYCEROL, Heterodimeric restriction endonuclease R.BspD6I large subunit, PHOSPHATE ION | | Authors: | Artyukh, R.I, Kachalova, G.S, Yunusova, A.K, Gabdulkhakov, A.G, Fatkhullin, B.F, Atanasov, B.P, Perevyazova, T.A, Popov, A.N, Zheleznaya, L.A. | | Deposit date: | 2019-02-12 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The key role of E418 carboxyl group in the formation of Nt.BspD6I nickase active site: Structural and functional properties of Nt.BspD6I E418A mutant.
J.Struct.Biol., 210, 2020
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8SZ3
 | | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 7j | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, ... | | Authors: | Sudom, A, Min, X. | | Deposit date: | 2023-05-26 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
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6QO9
 | | Crystal structure of ribonucleotide reductase NrdF from Bacillus anthracis soaked with manganese ions | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta, ... | | Authors: | Grave, K, Hogbom, M. | | Deposit date: | 2019-02-12 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.299 Å) | | Cite: | Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access.
J.Biol.Inorg.Chem., 24, 2019
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6QO8
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4WAC
 | | Crystal Structure of TarM | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Koc, C, Stehle, T, Xia, G, Peschel, A. | | Deposit date: | 2014-08-29 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Enzymatic Analysis of TarM Glycosyltransferase from Staphylococcus aureus Reveals an Oligomeric Protein Specific for the Glycosylation of Wall Teichoic Acid.
J.Biol.Chem., 290, 2015
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5WTH
 | | Cryo-EM structure for Hepatitis A virus complexed with FAB | | Descriptor: | FAB Heavy Chain, FAB Light Chain, Polyprotein, ... | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-12 | | Release date: | 2017-01-25 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8SGU
 | | Crystal structure of the SARS-CoV-2 receptor binding domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Sankhala, R.S, Jensen, J.L, Joyce, M.G. | | Deposit date: | 2023-04-13 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
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4WDD
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T232A, complexed with citrate | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-08 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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6QV9
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5KYO
 | | Crystal Structure of CYP101J2 | | Descriptor: | CYP101J2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Unterweger, B, Drinkwater, N, Dumsday, G.J, McGowan, S. | | Deposit date: | 2016-07-22 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of cytochrome P450 monooxygenase CYP101J2 from Sphingobium yanoikuyae strain B2.
Proteins, 85, 2017
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6QPA
 | | Halothiobacillus neapolitanus sulfur oxygenase reductase | | Descriptor: | FE (III) ION, SULFATE ION, Sulfur oxygenase/reductase | | Authors: | Frazao, C, Klezin, A, Poell, U, Veith, A, Ruehl, P, Coelho, R. | | Deposit date: | 2019-02-13 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Multiple sulfane modifications in active-site cysteine thiols of two sulfur oxygenase reductases and analysis of substrate/product channels
To Be Published
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6QM9
 | | Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in nanodisc (open state) | | Descriptor: | CALCIUM ION, Predicted protein | | Authors: | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | | Deposit date: | 2019-02-01 | | Release date: | 2019-03-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM.
Elife, 8, 2019
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