5MFP
 
 | | Human Sirt6 in complex with activator UBCS58 | | Descriptor: | 1,2-ETHANEDIOL, 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Steegborn, C, You, W, Kambach, C. | | Deposit date: | 2016-11-18 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MG5
 | | A multi-component acyltransferase PhlABC from Pseudomonas protegens soaked with the monoacetylphloroglucinol (MAPG) | | Descriptor: | 2,4-diacetylphloroglucinol biosynthesis protein, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, Hydroxymethylglutaryl-CoA synthase, ... | | Authors: | Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K. | | Deposit date: | 2016-11-20 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.44 Å) | | Cite: | Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase.
Chembiochem, 20, 2019
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4XV9
 | | B-Raf Kinase domain in complex with PLX5568 | | Descriptor: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf | | Authors: | zhang, Y, zhang, c, wang, w. | | Deposit date: | 2015-01-26 | | Release date: | 2015-10-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
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5MPC
 | | 26S proteasome in presence of BeFx (s4) | | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | | Deposit date: | 2016-12-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5MTR
 | | Crystal structure of M. tuberculosis InhA inhibited by PT512 | | Descriptor: | 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | Deposit date: | 2017-01-10 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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5MP9
 | | 26S proteasome in presence of ATP (s1) | | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | | Deposit date: | 2016-12-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5MTQ
 | | Crystal structure of M. tuberculosis InhA inhibited by PT511 | | Descriptor: | 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | Deposit date: | 2017-01-10 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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4Y2M
 | | apo-GolB protein | | Descriptor: | GOLD ION, Putative metal-binding transport protein | | Authors: | Wei, W, Zhao, J, Wang, F. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
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5MVZ
 | | Fab 4AB007 bound to Interleukin-1-beta | | Descriptor: | Fab 4AB007 H-chain, Fab 4AB007 L-chain, GLYCEROL, ... | | Authors: | Stark, W, Seibert, V. | | Deposit date: | 2017-01-17 | | Release date: | 2017-02-15 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of a novel, fully Human Fab binding to Interleukin 1-beta.
To Be Published
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5MF6
 | | Human Sirt6 in complex with activator UBCS039 | | Descriptor: | (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Steegborn, C, You, W, Kambach, C. | | Deposit date: | 2016-11-17 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MGN
 | | Human Sirt6 in complex with activator UBCS38 | | Descriptor: | (4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Steegborn, C, You, W, Kambach, C. | | Deposit date: | 2016-11-21 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5M85
 | | Three-dimensional structure of the intermediate state of GAF3 from Slr1393 of Synechocystis sp. PCC6803 | | Descriptor: | (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHYCOCYANOBILIN, ... | | Authors: | Xu, X.-L, Zhao, K.-H, Gaertner, W, Hoeppner, A. | | Deposit date: | 2016-10-28 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural elements regulating the photochromicity in a cyanobacteriochrome
Proc.Natl.Acad.Sci.USA, 2020
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5MI9
 | | Structure of the phosphomimetic mutant of the elongation factor EF-Tu T62E | | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A. | | Deposit date: | 2016-11-27 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
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5MPD
 | | 26S proteasome in presence of ATP (s1) | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ... | | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | | Deposit date: | 2016-12-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5MI3
 | | Structure of phosphorylated translation elongation factor EF-Tu from E. coli | | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A. | | Deposit date: | 2016-11-27 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
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5MUE
 | | Self-assembled alpha-Tocopherol Transfer Protein Nanoparticles Promote Vitamin E Delivery Across an Endothelial Barrier | | Descriptor: | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, Alpha-tocopherol transfer protein, CHLORIDE ION, ... | | Authors: | Stocker, A, Aeschimann, W. | | Deposit date: | 2017-01-13 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Self-assembled alpha-Tocopherol Transfer Protein Nanoparticles Promote Vitamin E Delivery Across an Endothelial Barrier.
Sci Rep, 7, 2017
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5MTP
 | | Crystal structure of M. tuberculosis InhA inhibited by PT514 | | Descriptor: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | Deposit date: | 2017-01-10 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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6VE9
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6VHJ
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5MWI
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5MZW
 | | Crystal structure of the decarboxylase AibA/AibB | | Descriptor: | GLYCEROL, Glutaconate CoA-transferase family, subunit A, ... | | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2017-02-02 | | Release date: | 2017-05-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5N4K
 | | N-terminal domain of a human Coronavirus NL63 nucleocapsid protein | | Descriptor: | Nucleoprotein, SULFATE ION | | Authors: | Zdzalik, M, Szelazek, B, Kabala, W, Golik, P, Burmistrz, M, Florek, D, Kus, K, Pyrc, K, Dubin, G. | | Deposit date: | 2017-02-10 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural Characterization of Human Coronavirus NL63 N Protein.
J. Virol., 91, 2017
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5MZY
 | | Crystal structure of the decarboxylase AibA/AibB in complex with a possible transition state analog | | Descriptor: | (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid, ACETATE ION, GLYCEROL, ... | | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2017-02-02 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5N00
 | | Crystal structure of the decarboxylase AibA/AibB C56A variant | | Descriptor: | ACETATE ION, Glutaconate CoA-transferase family, subunit A, ... | | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2017-02-02 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5NCH
 | | GriE apo form | | Descriptor: | Leucine hydroxylase | | Authors: | Lukat, P, Blankenfeldt, W, Mueller, R. | | Deposit date: | 2017-03-05 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
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