4NAA
 
 | | Crystal structure of UVB photoreceptor UVR8 from Arabidopsis thaliana and UV-induced structural changes at 120K | | Descriptor: | MAGNESIUM ION, Ultraviolet-B receptor UVR8 | | Authors: | Yang, X, Zeng, X, Ren, Z, Zhao, K.H. | | Deposit date: | 2013-10-22 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
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3JD2
 | | Glutamate dehydrogenase in complex with NADH, open conformation | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glutamate dehydrogenase 1, mitochondrial | | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | Deposit date: | 2016-03-28 | | Release date: | 2016-04-27 | | Last modified: | 2025-06-11 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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7B74
 | | Chimeric Streptavidin With A Dimerization Domain For Artificial Transfer Hydrogenation | | Descriptor: | Streptavidin,Superoxide dismutase [Cu-Zn],Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2020-12-09 | | Release date: | 2021-11-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Spiers Memorial Lecture: Shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation.
Faraday Disc.Chem.Soc, 2023
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8J7B
 | | Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 2 (PSI-ST2) | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X. | | Deposit date: | 2023-04-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
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4ERR
 | | 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio vulnificus MARTX Effector Domain DUF5 | | Descriptor: | Autotransporter adhesin, BROMIDE ION, CHLORIDE ION | | Authors: | Minasov, G, Wawrzak, Z, Geissler, B, Shuvalova, L, Dubrovska, I, Winsor, J, Satchell, K.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-20 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio vulnificus MARTX Effector Domain DUF5.
TO BE PUBLISHED
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6FGU
 | | Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 4 | | Descriptor: | 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-11 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6FGW
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 4 | | Descriptor: | 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-11 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.725 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6SFH
 | | CRYSTAL STRUCTURE OF DHQ1 FROM Staphylococcus aureus COVALENTLY MODIFIED BY LIGAND 7 | | Descriptor: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase, LITHIUM ION, ... | | Authors: | Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2019-08-01 | | Release date: | 2020-04-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product.
Chemistry, 26, 2020
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4NC4
 | | Crystal structure of photoreceptor AtUVR8 mutant W285F and light-induced structural changes at 120K | | Descriptor: | MAGNESIUM ION, Ultraviolet-B receptor UVR8 | | Authors: | Yang, X, Zeng, X, Zhao, K.-H, Ren, Z. | | Deposit date: | 2013-10-23 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
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6DQX
 | | Actinobacillus ureae class Id ribonucleotide reductase alpha subunit | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | McBride, M.J, Palowitch, G.M, Boal, A.K. | | Deposit date: | 2018-06-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structures of Class Id Ribonucleotide Reductase Catalytic Subunits Reveal a Minimal Architecture for Deoxynucleotide Biosynthesis.
Biochemistry, 58, 2019
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8PZ0
 | | Intracellular leucine aminopeptidase of Pseudomonas aeruginosa PA14. | | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, CHLORIDE ION, ... | | Authors: | Simpson, M.C, Czekster, C.M, Harding, C.J. | | Deposit date: | 2023-07-26 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unveiling the Catalytic Mechanism of a Processive Metalloaminopeptidase.
Biochemistry, 62, 2023
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9DTF
 | | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and fragment DDD01008876 | | Descriptor: | (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Chang, C, Michalska, K, Forte, B, Baragana, B, Gilbert, I.H, Wower, J, Joachimiak, A. | | Deposit date: | 2024-09-30 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Different chemical scaffolds bind to L-phe site in Mycobacterium tuberculosis Phe-tRNA synthetase.
Eur.J.Med.Chem., 287, 2025
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6T6P
 | | Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution | | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, PHOSPHATE ION | | Authors: | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2019-10-18 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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5YND
 | | Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM gamma-cyclodextrin | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DUF3372 domain-containing protein, ... | | Authors: | Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B. | | Deposit date: | 2017-10-24 | | Release date: | 2018-10-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.227 Å) | | Cite: | Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
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8X80
 | | Structure of leptin-LepR trimer with a small gap | | 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, Leptin, ... | | Authors: | Xie, Y.F, Gao, G.F. | | Deposit date: | 2023-11-27 | | Release date: | 2024-08-07 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Structural plasticity of human leptin binding to its receptor LepR
Hlife, 1, 2023
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8X85
 | | Structure of leptin-LepR dimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Leptin, Leptin receptor, ... | | Authors: | Xie, Y.F, Shang, G.J, Qi, J.X, Gao, G.F. | | Deposit date: | 2023-11-27 | | Release date: | 2024-08-07 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Structural plasticity of human leptin binding to its receptor LepR
Hlife, 1, 2023
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7MTU
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, INOSINIC ACID, ... | | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-13 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P221
To Be Published
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6HF0
 | | M. tuberculosis DprE1 covalently bound to a nitrobenzoxacinone. | | Descriptor: | 2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one, Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.384 Å) | | Cite: | Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
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3E21
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3MDS
 | | MAGANESE SUPEROXIDE DISMUTASE FROM THERMUS THERMOPHILUS | | Descriptor: | MANGANESE (III) ION, MANGANESE SUPEROXIDE DISMUTASE | | Authors: | Ludwig, M.L, Metzger, A.L, Pattridge, K.A, Stallings, W.C. | | Deposit date: | 1993-10-20 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Manganese superoxide dismutase from Thermus thermophilus. A structural model refined at 1.8 A resolution.
J.Mol.Biol., 219, 1991
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6FNH
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-02-04 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.379 Å) | | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
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5IK7
 | | Laminin A2LG45 I-form, Apo. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Briggs, D.C, Hohenester, E, Campbell, K.P. | | Deposit date: | 2016-03-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of laminin binding to the LARGE glycans on dystroglycan.
Nat.Chem.Biol., 12, 2016
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6ARI
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6FNG
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-02-04 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.038 Å) | | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
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7NE3
 | | Human TET2 in complex with favourable DNA substrate. | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*CP*AP*GP*GP*(5CM)P*GP*CP*CP*TP*G)-3'), ... | | Authors: | Rafalski, D, Bochtler, M. | | Deposit date: | 2021-02-03 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function.
Sci Adv, 8, 2022
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