PDB: 45677 resultsInfo pagesStatus searchChemie searchBIRD

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7L76	Crystal Structure of EcDsbA in a complex with 2-(6-Phenylbenzofuran-3-yl)acetic acid Descriptor: (6-phenyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA Authors: Ilyichova, O.V, Scanlon, M.J. Deposit date: 2020-12-26 Release date: 2021-08-11 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds. Bioorg.Med.Chem., 45, 2021
6JHB	Crystal structure of NADPH and 4-hydroxyphenylpyruvic acid bound AerF from Microcystis aeruginosa Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase family protein Authors: Qiu, X, Wei, Y, Zhu, W. Deposit date: 2019-02-17 Release date: 2019-11-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin J.Struct.Biol., 2019
5OPQ	A 3,6-anhydro-D-galactosidase produced by Zobellia galactanivorans. This is an exo-lytic enzyme that hydrolyzes terminal 3,6-anhydro-D-galactose from the non-reducing end of carrageenan oligosaccharides. Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6-anhydro-D-galactosidase, ... Authors: Ficko-Blean, E, Michel, G, Czjzek, M. Deposit date: 2017-08-10 Release date: 2017-11-29 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Carrageenan catabolism is encoded by a complex regulon in marine heterotrophic bacteria. Nat Commun, 8, 2017
5VXX	Cryo-EM reconstruction of Neisseria gonorrhoeae Type IV pilus Descriptor: Fimbrial protein, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, alpha-D-galactopyranose-(1-3)-2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose Authors: Wang, F, Orlova, A, Altindal, T, Craig, L, Egelman, E.H. Deposit date: 2017-05-24 Release date: 2017-07-12 Last modified: 2020-07-29 Method: ELECTRON MICROSCOPY (5.1 Å) Cite: Cryoelectron Microscopy Reconstructions of the Pseudomonas aeruginosa and Neisseria gonorrhoeae Type IV Pili at Sub-nanometer Resolution. Structure, 25, 2017
8CHH	SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the correction method for spin-diffusion with PDB 2NUZ as reference Descriptor: Spectrin alpha chain, non-erythrocytic 1 Authors: Soeldner, B. Deposit date: 2023-02-08 Release date: 2023-03-08 Last modified: 2024-06-19 Method: SOLID-STATE NMR Cite: Integrated Assessment of the Structure and Dynamics of Solid Proteins. J Phys Chem Lett, 14, 2023
6YOY	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-025 Descriptor: 14-3-3 protein sigma, 5-methyl-2-nitrophenol, CHLORIDE ION, ... Authors: Wolter, M, Ottmann, C. Deposit date: 2020-04-15 Release date: 2020-09-23 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering. Angew.Chem.Int.Ed.Engl., 59, 2020
6JDR	Crystal structure of methylated PRRSV nsp10 (helicase) Descriptor: PP1b, SULFATE ION, ZINC ION Authors: Deng, Z, Tang, C, Chen, Z. Deposit date: 2019-02-02 Release date: 2020-02-05 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure. Viruses, 12, 2020
6YP2	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-011 Descriptor: 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CHLORIDE ION, ... Authors: Wolter, M, Ottmann, C. Deposit date: 2020-04-15 Release date: 2020-09-23 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering. Angew.Chem.Int.Ed.Engl., 59, 2020
8C3N	Stapled peptide SP30 in complex with humanised RadA mutant HumRadA22 Descriptor: 4,6-diethylpyrimidin-2-amine, ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility protein, ... Authors: Pantelejevs, T, Hyvonen, M. Deposit date: 2022-12-27 Release date: 2023-03-08 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.21 Å) Cite: A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase. Chem Sci, 14, 2023
6YPZ	Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ... Authors: Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. Deposit date: 2020-04-16 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.08 Å) Cite: Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
5OP3	Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ... Authors: Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. Deposit date: 2017-08-09 Release date: 2018-08-29 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.359 Å) Cite: Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme To be published
8CF4	SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the combined correction method with PDB 2NUZ Descriptor: Spectrin alpha chain, non-erythrocytic 1 Authors: Soeldner, B. Deposit date: 2023-02-02 Release date: 2023-03-08 Last modified: 2024-06-19 Method: SOLID-STATE NMR Cite: Integrated Assessment of the Structure and Dynamics of Solid Proteins. J Phys Chem Lett, 14, 2023
8CHG	SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the correction for dipolar truncation with PDB 2NUZ Descriptor: Spectrin alpha chain, non-erythrocytic 1 Authors: Soeldner, B. Deposit date: 2023-02-08 Release date: 2023-03-08 Last modified: 2024-06-19 Method: SOLID-STATE NMR Cite: Integrated Assessment of the Structure and Dynamics of Solid Proteins. J Phys Chem Lett, 14, 2023
5OQF	Crystal structure of a single chain trimer composed of the MHC 1 heavy chain H2-Kb WT, beta-2microglobulin, and ovalbumin derived peptide Descriptor: Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-B alpha chain Authors: Mikolajek, H, Werner, J.M. Deposit date: 2017-08-11 Release date: 2018-04-11 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.27 Å) Cite: The partial dissociation of MHC class I-bound peptides exposes their N terminus to trimming by endoplasmic reticulum aminopeptidase 1. J. Biol. Chem., 293, 2018
5OOV	Designed Ankyrin Repeat Protein (DARPin) ETVD-1 in complex with Lysozyme Descriptor: DARPin ETVD-1, Lysozyme C Authors: Houlihan, G, Fischer, G, Hogan, B.J, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. Deposit date: 2017-08-08 Release date: 2018-08-29 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.365 Å) Cite: Designed Ankyrin Repeat Protein (DARPin) ETVD-1 in complex with Lysozyme To be published
6YI4	Structure of IMP-13 metallo-beta-lactamase complexed with citrate anion Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... Authors: Zak, K.M, Zhou, R.X, Softley, C.A, Bostock, M.J, Sattler, M, Popowicz, G.M. Deposit date: 2020-03-31 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structure of IMP-13 metallo-beta-lactamase complexed with citrate anion Not published
6SIT	Pseudo-atomic crystal structure of the desmoglein 2 - human adenovirus serotype 3 fibre knob complex Descriptor: CALCIUM ION, Desmoglein-2, Fiber protein Authors: Burmeister, W.P, Fender, P, Vassal-Stermann, E. Deposit date: 2019-08-11 Release date: 2019-12-18 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (4.5 Å) Cite: Intermediate-resolution crystal structure of the human adenovirus B serotype 3 fibre knob in complex with the EC2-EC3 fragment of desmoglein 2. Acta Crystallogr.,Sect.F, 75, 2019
5W1X	Crystal Structure of Humanpapillomavirus18 (HPV18) Capsid L1 Pentamers Bound to Heparin Oligosaccharides Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, ... Authors: Chen, X.S, Dasgupta, J. Deposit date: 2017-06-05 Release date: 2018-12-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3.374 Å) Cite: Structural basis of oligosaccharide receptor recognition by human papillomavirus. J. Biol. Chem., 286, 2011
7WAN	Crystal structure of HaloTag complexed with UL2 Descriptor: (R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol, CHLORIDE ION, Haloalkane dehalogenase Authors: Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H. Deposit date: 2021-12-14 Release date: 2022-02-02 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.284 Å) Cite: A chemical tool for blue light-inducible proximity photo-crosslinking in live cells. Chem Sci, 13, 2022
5VX6	Structure of Bacillus subtilis Inhibitor of motility (MotI/DgrA) Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Uncharacterized protein YpfA Authors: Subramanian, S, Dann III, C. Deposit date: 2017-05-23 Release date: 2017-11-22 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (3.197 Å) Cite: MotI (DgrA) acts as a molecular clutch on the flagellar stator protein MotA inBacillus subtilis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6YQ6	Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ... Authors: Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. Deposit date: 2020-04-16 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
5W1W	Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex Descriptor: Beta-2-microglobulin, GF4 T cell receptor alpha chain, GF4 T cell receptor beta chain, ... Authors: Gras, S, Walpole, N, Farenc, C, Rossjohn, J. Deposit date: 2017-06-05 Release date: 2017-10-04 Last modified: 2018-01-03 Method: X-RAY DIFFRACTION (3.1 Å) Cite: A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct alpha beta T cell receptors. J. Biol. Chem., 292, 2017
6SAR	E coli BepA/YfgC Descriptor: Beta-barrel assembly-enhancing protease, SULFATE ION, ZINC ION Authors: Lovering, A.L, Cadby, I.T. Deposit date: 2019-07-17 Release date: 2020-08-26 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structure-Function Characterization of the Conserved Regulatory Mechanism of the Escherichia coli M48 Metalloprotease BepA. J.Bacteriol., 203, 2020
5UM4	Crystal structure of the F255A mutant Kir3.1 cytoplasmic pore domain Descriptor: G protein-activated inward rectifier potassium channel 1 Authors: Meinke, G, Bohm, A, Noujaim, S. Deposit date: 2017-01-26 Release date: 2018-01-31 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of the F255A mutant Kir3.1 cytoplasmic pore domain To Be Published
6JHA	Crystal structure of NADPH bound AerF from Microcystis aeruginosa Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase family protein, TRIETHYLENE GLYCOL Authors: Qiu, X. Deposit date: 2019-02-17 Release date: 2019-11-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin J.Struct.Biol., 2019

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