PDB: 30476 resultsInfo pagesStatus searchChemie searchBIRD

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8C11	BRD4 in complex with 2-(2-(4-(3,5-dimethylisoxazol-4-yl)-1H-pyrazol-1-yl)acetamido)-N-ethylpropanamide Descriptor: (2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide, Bromodomain-containing protein 4 Authors: Martin, M.P, Noble, M.E.N. Deposit date: 2022-12-19 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: BRD4 complex with compound 22 To Be Published
4USP	X-ray structure of the dimeric CCL2 lectin in native form Descriptor: CCL2 LECTIN, CHLORIDE ION, PHOSPHATE ION Authors: Bleuler-Martinez, S, Varrot, A, Schubert, M, Stutz, M, Sieber, R, Hengartner, M, Aebi, M, Kunzler, M. Deposit date: 2014-07-11 Release date: 2015-07-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Dimerization of the fungal defense lectin CCL2 is essential for its toxicity against nematodes. Glycobiology, 27, 2017
8C08	Crystal structure of JAK2 JH2-K539L Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... Authors: Haikarainen, T. Deposit date: 2022-12-16 Release date: 2023-12-27 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Molecular basis of JAK2 activation in erythropoietin receptor and pathogenic JAK2 signaling. Sci Adv, 10, 2024
8BZC	co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ244) Descriptor: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ... Authors: Visser, E.J, Sijbesma, E, Ottmann, C. Deposit date: 2022-12-14 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Linked-fragment stabilizers of 14-3-3 protein-protein interactions To Be Published
4V11	Structure of Synaptotagmin-1 with SV2A peptide phosphorylated at Thr84 Descriptor: CALCIUM ION, GLYCEROL, SYNAPTIC VESICLE GLYCOPROTEIN 2A, ... Authors: Zhang, N, Gordon, S.L, Fritsch, M.J, Esoof, N, Campbell, D, Gourlay, R, Velupillai, S, Macartney, T, Peggie, M, vanAalten, D.M.F, Cousin, M.A, Alessi, D.R. Deposit date: 2014-09-22 Release date: 2015-02-25 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Phosphorylation of Synaptic Vesicle Protein 2A at Thr84 by Casein Kinase 1 Family Kinases Controls the Specific Retrieval of Synaptotagmin-1. J.Neurosci., 35, 2015
6EJ6	Crystal structure of the N240A mutant of Candida albicans Mep2 Descriptor: Ammonium transporter Authors: van den Berg, B. Deposit date: 2017-09-20 Release date: 2018-10-10 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure of the N240A mutant of Candida albicans Mep2 To Be Published
4V3U	Structure of human nNOS R354A G357D mutant heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl) propan-1-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine, ... Authors: Li, H, Poulos, T.L. Deposit date: 2014-10-20 Release date: 2014-12-24 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
8BZL	Human 20S Proteasome in complex with peptide activator peptide BLM42 Descriptor: ARG-SER-TYR-TYR-SER, CHLORIDE ION, MAGNESIUM ION, ... Authors: Henneberg, F, Chari, A, Jankowska, E, Witkowska, J. Deposit date: 2022-12-15 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Peptidic, Blm10-based activators of human 20S proteasome in vitro and in cellulo enhance degradation of proteins connected with neurodegeneration. To Be Published
4UT6	Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 B7 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ... Authors: Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. Deposit date: 2014-07-18 Release date: 2015-01-28 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses. Nature, 520, 2015
6E36	The structure of the variable domain of Streptococcus intermedius antigen I/II (Pas) Descriptor: MAGNESIUM ION, Probable cell-surface antigen I/II Authors: Schormann, N, Deivanayagam, C. Deposit date: 2018-07-13 Release date: 2019-07-17 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structure-Function Characterization of Streptococcus intermedius Surface Antigen Pas. J.Bacteriol., 203, 2021
8C42	Ternary structure of 14-3-3sigma, PKA-responsive ERa phosphopeptide and Fusicoccin-A Descriptor: 14-3-3 protein sigma, De-acetylated Fusicoccin, Estrogen receptor, ... Authors: Somsen, B.A, Ottmann, C. Deposit date: 2022-12-30 Release date: 2023-12-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex. J.Biol.Chem., 299, 2023
8C3Z	14-3-3sigma bound to strep-tagged PKA-responsive ERa phosphopeptide Descriptor: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION Authors: Somsen, B.A, Ottmann, C. Deposit date: 2022-12-30 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex. J.Biol.Chem., 299, 2023
6EL0	Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with styrene Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ... Authors: Ramirez-Escudero, M, Sanz-Aparicio, J. Deposit date: 2017-09-27 Release date: 2018-12-12 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase. Acs Chem.Biol., 13, 2018
8BZM	FOXK1-ELF1-heterodimer bound to DNA Descriptor: DNA, ETS-related transcription factor Elf-1, Forkhead box protein K1, ... Authors: Morgunova, E, Popov, A, Yin, Y, Taipale, J. Deposit date: 2022-12-15 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (2.69 Å) Cite: FOXK1-ELF1_heterodimer bound to DNA To Be Published
8C1T	Crystal structure of Trichoplax Dlg PDZ1 domain in complex with Trichoplax Vangl peptide Descriptor: Disks large-like protein 1, MALONIC ACID, Vang-like protein 1 Authors: Maddumage, J.C, Kvansakul, M. Deposit date: 2022-12-21 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of Trichoplax Dlg PDZ1 domain in complex with Trichoplax Vangl peptide To be published
8C41	High resolution structure of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*GP*AP*AP*T)-3'), ... Authors: Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R. Deposit date: 2022-12-30 Release date: 2024-01-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.393 Å) Cite: The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin. To Be Published
8C5L	NR2F6 ligand binding domain in complex with NSD1 peptide Descriptor: Histone-lysine N-methyltransferase, H3 lysine-36 specific, Maltose/maltodextrin-binding periplasmic protein,Nuclear receptor subfamily 2 group F member 6, ... Authors: Oerlemans, G.J.M, van den Oetelaar, M.C.M, Brunsveld, L. Deposit date: 2023-01-09 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural insights into coregulator recruitment to the autorepressed NR2F6 nuclear receptor To Be Published
8CN5	Pa.FabF-C164Q in complex with propan-2-yl 1~{H}-pyrazole-3-carboxylate Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Georgiou, C, Brenk, R. Deposit date: 2023-02-22 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (1.93 Å) Cite: New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8C3Q	Crystal structure of DYRK1A in complex with rutin Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, RUTIN Authors: Grygier, P, Pustelny, K, Dubin, G, Czarna, A. Deposit date: 2022-12-28 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.32 Å) Cite: Crystal structure of DYRK1A in complex with rutin To Be Published
4W50	Structure of the EphA4 LBD in complex with peptide Descriptor: 1,3-BUTANEDIOL, APY peptide, Ephrin type-A receptor 4, ... Authors: Lechtenberg, B.C, Mace, P.D, Riedl, S.J. Deposit date: 2014-08-16 Release date: 2014-10-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor. Acs Chem.Biol., 9, 2014
8C15	Aurora A kinase in complex with TPX2-inhibitor 3 Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... Authors: Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. Deposit date: 2022-12-20 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agents To be published
4W5U	Crystal structure of chitinase 40 from thermophilic bacteria Streptomyces thermoviolaceus. Descriptor: Chitinase, MALONATE ION Authors: Malecki, P.H, Vorgias, C.E, Rypniewski, W. Deposit date: 2014-08-18 Release date: 2015-08-26 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.771 Å) Cite: The Crystal Structure of a Streptomyces thermoviolaceus Thermophilic Chitinase Known for Its Refolding Efficiency Int J Mol Sci, 2020
8C1E	Aurora A kinase in complex with TPX2-inhibitor 9 Descriptor: 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... Authors: Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. Deposit date: 2022-12-20 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.798 Å) Cite: Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
6ES8	HIV capsid hexamer with IP6 ligand Descriptor: Gag protein, INOSITOL HEXAKISPHOSPHATE Authors: James, L.C. Deposit date: 2017-10-19 Release date: 2018-08-15 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.9 Å) Cite: IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis. Elife, 7, 2018
8C1I	Aurora A kinase in complex with TPX2-inhibitor 10 Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... Authors: Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. Deposit date: 2022-12-20 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.81 Å) Cite: Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published

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