PDB: 45853 resultsInfo pagesStatus searchChemie searchBIRD

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7TYP	TEAD2 bound to GNE-7883 Descriptor: (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4 Authors: Noland, C.L, Fong, R. Deposit date: 2022-02-14 Release date: 2023-05-03 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an expanded Hippo dependent landscape in cancers To Be Published
5ZRN	Inhibitor bound crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis Descriptor: 5'-O-{[(1R)-1-hydroxydodecyl]sulfamoyl}adenosine, Long-chain-fatty-acid--CoA ligase FadD13 Authors: Goyal, A, Sankaranarayanan, R. Deposit date: 2018-04-24 Release date: 2019-04-24 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.37 Å) Cite: Inhibitor bound crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis To Be Published
7U37	Solution NMR structure of Vibrio cholerae ferrous iron transport protein C (FeoC) Descriptor: Ferrous iron transport protein C Authors: Brown, J.B, Lee, M.A, Smith, A.T. Deposit date: 2022-02-25 Release date: 2022-07-13 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: The structure of Vibrio cholerae FeoC reveals conservation of the helix-turn-helix motif but not the cluster-binding domain. J.Biol.Inorg.Chem., 27, 2022
8OXT	CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) H251A VARIANT COMPLEXED WITH N-ACETYLANTHRANILATE AS RESULT OF IN CRYSTALLO TURNOVER OF ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE UNDER HYPEROXIC CONDITIONS Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ... Authors: Bui, S, Steiner, R.A. Deposit date: 2023-05-02 Release date: 2024-01-17 Method: X-RAY DIFFRACTION (2.003 Å) Cite: Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
8D5V	WhiB6 bound to the SigmaAr4-RNAP Beta flap tip chimera Descriptor: IRON/SULFUR CLUSTER, Probable transcriptional regulator WhiB6, RNA polymerase sigma factor SigA,DNA-directed RNA polymerase subunit beta Authors: Wan, T, Zhang, L.M. Deposit date: 2022-06-06 Release date: 2023-06-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of WhiB6 and SigA4-betaTip complex To Be Published
6A0A	Structure of a triple-helix region of human collagen type III Descriptor: collagen type III peptide Authors: Yang, X, Zhu, Y, Ye, S, Zhang, R. Deposit date: 2018-06-05 Release date: 2018-12-26 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.502 Å) Cite: Characterization by high-resolution crystal structure analysis of a triple-helix region of human collagen type III with potent cell adhesion activity. Biochem. Biophys. Res. Commun., 508, 2019
8OG0	Crystal structure of MJF14-6-4-2 Fab fragment in complex with epitope peptide Descriptor: Alpha-synuclein, Fab fragment heavy chain, Fab fragment light chain Authors: Tars, K, Lieknina, I. Deposit date: 2023-03-17 Release date: 2024-03-27 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.712 Å) Cite: Structural basis of epitope recognition by anti-alpha-synuclein antibodies MJFR14-6-4-2. NPJ Parkinsons Dis, 10, 2024
7UDV	Designed pentameric proton channel LLQL Descriptor: De novo designed proton channel LLQL Authors: Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. Deposit date: 2022-03-20 Release date: 2022-04-06 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
7UDZ	Designed pentameric proton channel LQLL Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL Authors: Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F. Deposit date: 2022-03-20 Release date: 2022-04-06 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
8CP2	Structure of Aspartate-N-hydroxylase (FzmM)from Streptomyces sp. V2: complex with NADPH and L-aspartate Descriptor: 3-NITROPROPANOIC ACID, ASPARTIC ACID, DI(HYDROXYETHYL)ETHER, ... Authors: Rotilio, L, Mattevi, A. Deposit date: 2023-03-01 Release date: 2023-07-12 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A biosynthetic aspartate N-hydroxylase performs successive oxidations by holding intermediates at a site away from the catalytic center. J.Biol.Chem., 299, 2023
7UDW	Designed pentameric proton channel QQLL Descriptor: De novo designed pentameric proton channel QQLL Authors: Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F. Deposit date: 2022-03-20 Release date: 2022-04-06 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (3 Å) Cite: Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
7UDY	Designed pentameric channel QLLL Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Designed channel QLLL Authors: Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. Deposit date: 2022-03-20 Release date: 2022-04-06 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
7UDX	Designed pentameric proton channel QLQL Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL Authors: Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. Deposit date: 2022-03-20 Release date: 2022-04-06 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.99 Å) Cite: Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
8DA4	Coevolved affibody-Z domain pair LL1.c2 Descriptor: Affibody LL1.FIVM, Immunoglobulin G-binding protein A, SULFATE ION, ... Authors: Jude, K.M, Yang, A, Garcia, K.C. Deposit date: 2022-06-13 Release date: 2023-07-26 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
8DA7	Coevolved affibody-Z domain pair LL1.c6 Descriptor: Immunoglobulin G-binding protein A, MALONATE ION, affibody LL1.FIFV Authors: Jude, K.M, Yang, A, Garcia, K.C. Deposit date: 2022-06-13 Release date: 2023-07-26 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
8CQ1	Stem-Loop 4 of the 5'-UTR of the SARS-CoV2 genomic RNA Descriptor: 5_SL4 Authors: Duchardt-Ferner, E, Voegele, J. Deposit date: 2023-03-03 Release date: 2023-09-20 Last modified: 2023-11-22 Method: SOLUTION NMR Cite: High-resolution structure of stem-loop 4 from the 5'-UTR of SARS-CoV-2 solved by solution state NMR. Nucleic Acids Res., 51, 2023
8CPB	1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with AMPPNP, and AnhMurNAc at 1.7 Angstroms resolution. Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, GLYCEROL, ... Authors: Jimenez-Faraco, E, Hermoso, J.A. Deposit date: 2023-03-02 Release date: 2023-09-20 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J.Biol.Chem., 299, 2023
8CP9	1,6-anhydro-n-actetylmuramic acid kinase (AnmK)in complex with non-hydrolyzable AMPPNP. Descriptor: Anhydro-N-acetylmuramic acid kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Jimenez-Faraco, E, Hermoso, J.A. Deposit date: 2023-03-02 Release date: 2023-09-20 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J.Biol.Chem., 299, 2023
8CPC	3D electron diffraction structure of Hen Egg-White Lysozyme from nano-crystals obtained by high pressure freezing and cryo-sectioning Descriptor: Lysozyme C Authors: Moriscot, C, Schoehn, G, Housset, D. Deposit date: 2023-03-02 Release date: 2023-09-20 Last modified: 2024-11-06 Method: ELECTRON CRYSTALLOGRAPHY (2.91 Å) Cite: High pressure freezing and cryo-sectioning can be used for protein structure determination by electron diffraction. Ultramicroscopy, 254, 2023
5ZZK	A Con Artist: Phenylphenoxybenzamide is not a Glycosyltransferase Inhibitor Descriptor: Monofunctional glycosyltransferase Authors: Wybenga, G.G. Deposit date: 2018-06-02 Release date: 2018-06-20 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.64 Å) Cite: A Con Artist: Phenylphenoxybenzamide is not a Glycosyltransferase Inhibitor Biorxiv, 2018
8CQM	Broad-range phospholipase C from Listeria monocytogenes Descriptor: FE (III) ION, GLYCEROL, Phospholipase C, ... Authors: Petrisic, N, Podobnik, M. Deposit date: 2023-03-06 Release date: 2023-10-18 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural basis for the unique molecular properties of broad-range phospholipase C from Listeria monocytogenes. Nat Commun, 14, 2023
8ON5	Structure of the tail fibre from an extracellular contractile injection system from Photorhabdus bacteria Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Adenoviral fiber protein, ... Authors: Godfrey, A.E, Diaz-Saez, L. Deposit date: 2023-03-31 Release date: 2024-04-10 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of the tail fibre from an extracellular contractile injection system from Photorhabdus bacteria To Be Published
8P9F	Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide Authors: Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) Deposit date: 2023-06-06 Release date: 2023-07-05 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
8P9L	Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512 Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide Authors: Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) Deposit date: 2023-06-06 Release date: 2023-07-05 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
8CZP	2.25 angstrom resolution crystal structure of as-isolated KatG from Mycobacterium tuberculosis with an MYW cofactor Descriptor: ACETATE ION, Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Li, J, Liu, A. Deposit date: 2022-05-25 Release date: 2023-12-13 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Indole-N-Linked Hydroperoxyl Adduct of Protein-Derived Cofactor Modulating Catalase-Peroxidase Functions. Angew.Chem.Int.Ed.Engl., 2024

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