6FHY
 
 | | Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside | | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Houser, J, Jancarikova, G, Wimmerova, M. | | Deposit date: | 2018-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
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2X31
 | | Modelling of the complex between subunits BchI and BchD of magnesium chelatase based on single-particle cryo-EM reconstruction at 7.5 ang | | Descriptor: | MAGNESIUM-CHELATASE 38 KDA SUBUNIT, MAGNESIUM-CHELATASE 60 KDA SUBUNIT | | Authors: | Lunqvist, J, Elmlund, H, Peterson Wulff, R, Berglund, L, Elmlund, D, Emanuelsson, C, Hebert, H, Willows, R.D, Hansson, M, Lindahl, M, Al-Karadaghi, S. | | Deposit date: | 2010-01-19 | | Release date: | 2010-11-10 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | ATP-Induced Conformational Dynamics in the Aaa+ Motor Unit of Magnesium Chelatase.
Structure, 18, 2010
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2RMI
 | | 3D NMR structure of astressin | | Descriptor: | astressin | | Authors: | Royappa, G.C.R, Cervini, L, Gulyas, J, Rivier, J, Riek, R. | | Deposit date: | 2007-10-17 | | Release date: | 2007-10-30 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Astressin-amide and astressin-acid are structurally different in dimethylsulfoxide
Biopolymers, 87, 2007
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6FK9
 | | Crystal structure of N2C/D282C stabilized opsin bound to RS09 | | Descriptor: | (2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ... | | Authors: | Mattle, D, Standfuss, J, Dawson, R. | | Deposit date: | 2018-01-23 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3BEV
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4DY4
 | | High resolution structure of E.coli WrbA with FMN | | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, Flavoprotein wrbA | | Authors: | Kishko, I, Brynda, J, Kuta Smatanova, I, Ettrich, R, Carey, J. | | Deposit date: | 2012-02-28 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High resolution structure of E.coli WrbA with FMN
To be Published
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4AV5
 | | Structure of a triclinic crystal of the FimH lectin domain in complex with a propynyl biphenyl alpha-D-mannoside, at 1.4 A resolution | | Descriptor: | (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol, FIMH, SULFATE ION | | Authors: | Wellens, A, Lahmann, M, Touaibia, M, Vaucher, J, Oscarson, S, Roy, R, Remaut, H, Bouckaert, J. | | Deposit date: | 2012-05-23 | | Release date: | 2012-06-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh.
Biochemistry, 51, 2012
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6MD0
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7PCJ
 | | X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex | | Descriptor: | Aromatic foldamer, Cyclosporin A, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Vallade, M, Langlois d'Estaintot, B, Fischer, L, Buratto, J, Savko, M, Huc, I. | | Deposit date: | 2021-08-03 | | Release date: | 2022-07-13 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | X-ray structure of a cystein mutant of Cyclophilin A tethered to an aromatic oligoamide foldamer complexed with Cyclosporin A
To Be Published
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4AVI
 | | Structure of the FimH lectin domain in the trigonal space group, in complex with a methyl ester octyl alpha-D-mannoside at 2.4 A resolution | | Descriptor: | FIMH, METHYL ESTER OCTYL ALPHA-1O-D-MANNOPYRANNOSIDE, NICKEL (II) ION, ... | | Authors: | Wellens, A, Lahmann, M, Touaibia, M, Vaucher, J, Oscarson, S, Roy, R, Remaut, H, Bouckaert, J. | | Deposit date: | 2012-05-26 | | Release date: | 2012-06-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh.
Biochemistry, 51, 2012
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6PEM
 | | Focussed refinement of InvGN0N1:SpaPQR:PrgHK from Salmonella SPI-1 injectisome NC-base | | Descriptor: | Lipoprotein PrgK, Protein InvG, Protein PrgH, ... | | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2019-06-20 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly.
Nat Microbiol, 4, 2019
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6PC7
 | | E. coli 50S ribosome bound to compound 46 | | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2019-06-16 | | Release date: | 2020-06-17 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
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6FKD
 | | Crystal structure of N2C/D282C stabilized opsin bound to RS16 | | Descriptor: | 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one, PALMITIC ACID, Rhodopsin, ... | | Authors: | Mattle, D, Standfuss, J, Dawson, R. | | Deposit date: | 2018-01-23 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4B0H
 | | B. subtilis dUTPase YncF in complex with dU, PPi and Mg b (P212121) | | Descriptor: | 2'-DEOXYURIDINE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | | Deposit date: | 2012-07-02 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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6MG3
 | | V285A Mutant of the C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence | | Descriptor: | 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta | | Authors: | Horton, J.R, Cheng, X, Yang, J. | | Deposit date: | 2018-09-12 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
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6PKN
 | | MicroED structure of proteinase K from an unpolished, platinum-coated, single lamella at 2.08A resolution (#9) | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | | Deposit date: | 2019-06-29 | | Release date: | 2019-09-04 | | Last modified: | 2019-12-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.08 Å) | | Cite: | Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED.
Structure, 27, 2019
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6FGN
 | | Solution Structure of p300Taz2-p63TA | | Descriptor: | Histone acetyltransferase p300,Tumor protein 63, ZINC ION | | Authors: | Gebel, J, Kazemi, S, Lohr, F, Guntert, P, Dotsch, V. | | Deposit date: | 2018-01-11 | | Release date: | 2018-05-30 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Regulation of the Activity in the p53 Family Depends on the Organization of the Transactivation Domain.
Structure, 26, 2018
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6PEK
 | | Structure of Spastin Hexamer (Subunit A-E) in complex with substrate peptide | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Han, H, Schubert, H.L, McCullough, J, Monroe, N, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2019-06-20 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of spastin bound to a glutamate-rich peptide implies a hand-over-hand mechanism of substrate translocation.
J.Biol.Chem., 295, 2020
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3CBH
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4ASK
 | | CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1 | | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | | Authors: | Chung, C, Mosley, J, Liddle, J. | | Deposit date: | 2012-05-01 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
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2PWT
 | | Crystal structure of the bacterial ribosomal decoding site complexed with aminoglycoside containing the L-HABA group | | Descriptor: | 22-mer of the ribosomal decoding site, DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162 | | Authors: | Kondo, J, Pachamuthu, K, Francois, B, Szychowski, J, Hanessian, S, Westhof, E. | | Deposit date: | 2007-05-13 | | Release date: | 2007-09-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Bacterial Ribosomal Decoding Site Complexed with a Synthetic Doubly Functionalized Paromomycin Derivative: a New Specific Binding Mode to an A-Minor Motif Enhances in vitro Antibacterial Activity
Chemmedchem, 2, 2007
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2WU7
 | | Crystal Structure of the Human CLK3 in complex with V25 | | Descriptor: | CHLORIDE ION, DUAL SPECIFICITY PROTEIN KINASE CLK3, SULFATE ION, ... | | Authors: | Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Phillips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Bracher, F, Huber, K, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | | Deposit date: | 2009-09-30 | | Release date: | 2009-10-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
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2X12
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4AH4
 | | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with BGA Oligosaccharide. | | Descriptor: | CHLORIDE ION, FUCOSE-SPECIFIC LECTIN FLEA, alpha-L-fucopyranose, ... | | Authors: | Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | | Deposit date: | 2012-02-03 | | Release date: | 2013-02-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent
Acta Crystallogr.,Sect.D, 71, 2015
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6EWU
 | | Solution Structure of Rhabdopeptide NRPS Docking Domain Kj12C-NDD | | Descriptor: | NRPS Kj12C-NDD | | Authors: | Hacker, C, Cai, X, Kegler, C, Zhao, L, Weickhmann, A.K, Bode, H.B, Woehnert, J. | | Deposit date: | 2017-11-06 | | Release date: | 2018-10-31 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | Structure-based redesign of docking domain interactions modulates the product spectrum of a rhabdopeptide-synthesizing NRPS.
Nat Commun, 9, 2018
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