6N77
| Structure of the human JAK1 kinase domain with compound 15 | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
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5EKA
| HU DNA-binding protein from Thermus thermophilus | Descriptor: | DNA-binding protein HU, GLYCEROL | Authors: | Papageorgiou, A, Adam, P, Stavros, P, Nounesis, G, Meijers, R, Petratos, K, Vorgias, C.E. | Deposit date: | 2015-11-03 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | HU histone-like DNA-binding protein from Thermus thermophilus: structural and evolutionary analyses. Extremophiles, 20, 2016
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7O05
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5WUD
| Structural basis for conductance through TRIC cation channels | Descriptor: | MAGNESIUM ION, Uncharacterized protein | Authors: | Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2016-12-17 | Release date: | 2017-06-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for conductance through TRIC cation channels. Nat Commun, 8, 2017
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7VUU
| Crystal structure of AlleyCat10 with inhibitor | Descriptor: | 5-nitro-1H-benzotriazole, AlleyCat, CALCIUM ION | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | Deposit date: | 2021-11-04 | Release date: | 2022-07-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | NMR-guided directed evolution. Nature, 610, 2022
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8P9G
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]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 (1.1 Å) | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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6N7D
| Structure of the human JAK1 kinase domain with compound 54 | Descriptor: | GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
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5WUN
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6N7M
| 1.78 Angstrom Resolution Crystal Structure of Hypothetical Protein CD630_05490 from Clostridioides difficile 630. | Descriptor: | Hypothetical Protein CD630_05490 | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-11-27 | Release date: | 2018-12-12 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 1.78 Angstrom Resolution Crystal Structure of Hypothetical Protein CD630_05490 from Clostridioides difficile 630. To Be Published
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5EKP
| Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (WT) | Descriptor: | MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501 | Authors: | Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2015-11-03 | Release date: | 2016-01-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.194 Å) | Cite: | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis. Nat Commun, 7, 2016
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7O36
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5J7L
| Structure of the 70S E coli ribosome with the U1052G mutation in the 16S rRNA bound to tetracycline | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... | Authors: | Cocozaki, A, Ferguson, A. | Deposit date: | 2016-04-06 | Release date: | 2016-07-27 | Last modified: | 2018-08-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors. Proc.Natl.Acad.Sci.USA, 113, 2016
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5W8S
| Lipid A Disaccharide Synthase (LpxB)-7 solubilizing mutations | Descriptor: | LITHIUM ION, Lipid-A-disaccharide synthase, SODIUM ION | Authors: | Bohl, T.E, Aihara, H, Shi, K, Lee, J.K. | Deposit date: | 2017-06-22 | Release date: | 2018-01-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of lipid A disaccharide synthase LpxB from Escherichia coli. Nat Commun, 9, 2018
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5ELU
| Isoform-specific inhibition of SUMO-dependent protein-protein interactions | Descriptor: | SULFATE ION, SUMO-Affirmer-S2B3, Small ubiquitin-related modifier 2 | Authors: | Hughes, D.J, Tiede, C, Hall, N, Tang, A.A.S, Trinh, C.H, Zajac, K, Mandal, U, Howell, G, Edwards, T.A, McPherson, M.J, Tomlinson, D.C, Whitehouse, A. | Deposit date: | 2015-11-05 | Release date: | 2016-11-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Generation of specific inhibitors of SUMO-1- and SUMO-2/3-mediated protein-protein interactions using Affimer (Adhiron) technology. Sci Signal, 10, 2017
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6N87
| Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide | Descriptor: | Apical membrane antigen-1, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, backbone-cyclised peptide bcRON2hp | Authors: | McGowan, S, Drinkwater, N. | Deposit date: | 2018-11-28 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.588 Å) | Cite: | Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe. ChemMedChem, 14, 2019
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7O45
| Crystal structure of ADD domain of the human DNMT3B methyltransferase | Descriptor: | BROMIDE ION, Isoform 6 of DNA (cytosine-5)-methyltransferase 3B, ZINC ION | Authors: | Boyko, K.M, Nikolaeva, A.Y, Bonchuk, A.N, Georgiev, P.G, Popov, V.O. | Deposit date: | 2021-04-05 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the DNMT3B ADD domain suggests the absence of a DNMT3A-like autoinhibitory mechanism. Biochem.Biophys.Res.Commun., 619, 2022
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8OJS
| Crystal structure of the human IgD Fab - structure Fab1 | Descriptor: | 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ... | Authors: | Davies, A.M, Beavil, R.L, McDonnell, J.M. | Deposit date: | 2023-03-24 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity. Mol.Immunol., 159, 2023
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8OJU
| Crystal structure of the human IgD Fab - structure Fab3 | Descriptor: | 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ... | Authors: | Davies, A.M, Beavil, R.L, McDonnell, J.M. | Deposit date: | 2023-03-24 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity. Mol.Immunol., 159, 2023
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5EU1
| CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273 | Descriptor: | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9 | Authors: | Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2015-11-18 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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7VNG
| Crystal structure of human coronavirus 229E spike protein receptor-binding domain in complex with S11 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S11 Fab heavy chain, S11 Fab light chain, ... | Authors: | Xiang, J.C, Zhao, W.W, Yang, B. | Deposit date: | 2021-10-11 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Antigenic mapping reveals sites of vulnerability on alpha-HCoV spike protein. Commun Biol, 5, 2022
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8OJV
| Crystal structure of the human IgD Fab - structure Fab4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Davies, A.M, Beavil, R.L, McDonnell, J.M. | Deposit date: | 2023-03-24 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity. Mol.Immunol., 159, 2023
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5JMW
| Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC50 and manganese | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2016-04-29 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
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8OQG
| Cross-linked crystal of dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (high temperature data collection) | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | Deposit date: | 2023-04-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts. Inorg.Chem., 62, 2023
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7VQK
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5JG8
| Crystal structure of human acid sphingomyelinase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xiong, Z.J, Prive, G.G. | Deposit date: | 2016-04-19 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Human Acid Sphingomyelinase Reveals the Role of the Saposin Domain in Activating Substrate Hydrolysis. J.Mol.Biol., 428, 2016
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