PDB: 66724 resultsInfo pagesStatus searchChemie searchBIRD

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7AKH	Structure of DYRK2 in complex with compound 58 Descriptor: 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-10-01 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AKB	Structure of DYRK1A in complex with compound 56 Descriptor: 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-30 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AJY	Structure of DYRK1A in complex with compound 51 Descriptor: 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-29 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AKL	Structure of DYRK1A in complex with compound 50 Descriptor: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-10-01 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AJ2	Structure of DYRK1A in complex with compound 3 Descriptor: 4-(4-methoxyphenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-28 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AJ8	Structure of DYRK1A in complex with compound 25 Descriptor: 4-(1-benzofuran-5-yl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-28 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
2RL0	Crystal structure of the fourth and fifth fibronectin F1 modules in complex with a fragment of staphylococcus aureus fnbpa-5 Descriptor: Fibronectin, Fibronectin-binding protein Authors: Bingham, R.J. Deposit date: 2007-10-18 Release date: 2008-08-05 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structures of fibronectin-binding sites from Staphylococcus aureus FnBPA in complex with fibronectin domains Proc.Natl.Acad.Sci.Usa, 105, 2008
7AKF	Structure of DYRK2 in complex with compound 50 Descriptor: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-30 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AJ7	Structure of DYRK1A in complex with compound 16 Descriptor: 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-28 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AJS	Structure of DYRK1A in complex with compound 33 Descriptor: 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-29 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AJ5	Structure of DYRK1A in complex with compound 10 Descriptor: 4-(1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-28 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
2RJ5	B-specific alpha-1,3-galactosyltransferase G176R S235G mutant (AABB) +UDP Descriptor: GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, ... Authors: Evans, S.V, Alfaro, J.A. Deposit date: 2007-10-14 Release date: 2008-02-05 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.45 Å) Cite: ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes. J.Biol.Chem., 283, 2008
7AJM	Structure of DYRK1A in complex with compound 32 Descriptor: DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-29 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AKA	Structure of DYRK1A in complex with compound 54 Descriptor: 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-30 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AK2	Structure of DYRK1A in complex with compound 53 Descriptor: 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-29 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AJV	Structure of DYRK1A in complex with compound 38 Descriptor: 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-29 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
2RK7	The Structure of rat cytosolic PEPCK in complex with oxalate Descriptor: MANGANESE (II) ION, OXALATE ION, Phosphoenolpyruvate carboxykinase, ... Authors: Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T. Deposit date: 2007-10-16 Release date: 2008-01-29 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition. Biochemistry, 47, 2008
2N6B	NMR structure of the de-novo toxin Hui1 Descriptor: Hui1 Authors: Mendelman, N, Zhao, R, Goldstein, S.A.N, Chill, J.H. Deposit date: 2015-08-17 Release date: 2015-12-16 Last modified: 2015-12-30 Method: SOLUTION NMR Cite: Designer and natural peptide toxin blockers of the KcsA potassium channel identified by phage display. Proc.Natl.Acad.Sci.USA, 112, 2015
7AJA	Structure of DYRK1A in complex with compound 28 Descriptor: 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-28 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
7AJW	Structure of DYRK1A in complex with compound 46 Descriptor: 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Dokurno, P, Surgenor, A.E, Kotschy, A. Deposit date: 2020-09-29 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
1X9Y	The prostaphopain B structure Descriptor: cysteine proteinase Authors: Filipek, R, Szczepanowski, R, Sabat, A, Potempa, J, Bochtler, M. Deposit date: 2004-08-24 Release date: 2004-11-23 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Prostaphopain B structure: a comparison of proregion-mediated and staphostatin-mediated protease inhibition. Biochemistry, 43, 2004
7AVH	Streptococcal High Identity Repeats in Tandem (SHIRT) domains 3-4 from cell surface protein SGO_0707 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LPXTG cell wall surface protein Authors: Whelan, F, Jenkins, H.T, Potts, J.R. Deposit date: 2020-11-05 Release date: 2021-06-09 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Periscope Proteins are variable-length regulators of bacterial cell surface interactions. Proc.Natl.Acad.Sci.USA, 118, 2021
2RKL	Crystal Structure of S.cerevisiae Vta1 C-terminal domain Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Vacuolar protein sorting-associated protein VTA1 Authors: Xiao, J, Xia, H, Zhou, J, Xu, Z. Deposit date: 2007-10-16 Release date: 2008-01-22 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural basis of vta1 function in the multivesicular body sorting pathway. Dev.Cell, 14, 2008
7AIZ	Vanadium nitrogenase VFe protein, high CO state Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... Authors: Rohde, M, Einsle, O. Deposit date: 2020-09-28 Release date: 2021-06-09 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Two ligand-binding sites in CO-reducing V nitrogenase reveal a general mechanistic principle. Sci Adv, 7, 2021
2RKX	The 3D structure of chain D, cyclase subunit of imidazoleglycerol_evolvedcerolphosphate synthase Descriptor: Cyclase subunit of imidazoleglycerol_evolvedcerolphosphate synthase Authors: Tawfik, D, Khersonsky, O, Albeck, S, Dym, O, Israel Structural Proteomics Center (ISPC) Deposit date: 2007-10-18 Release date: 2008-03-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Kemp elimination catalysts by computational enzyme design. Nature, 453, 2008

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