5RMK
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1273312153 | Descriptor: | Helicase, N-methyl-1H-indole-7-carboxamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5TBO
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421 | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M. | Deposit date: | 2016-09-12 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria. ACS Infect Dis, 2, 2016
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5T1S
| Irak4 kinase - compound 1 co-structure | Descriptor: | 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4 | Authors: | Fischmann, T.O. | Deposit date: | 2016-08-22 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg. Med. Chem. Lett., 27, 2017
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5T1T
| Irak4 kinase - compound 1 co-structure | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine | Authors: | Fischmann, T.O. | Deposit date: | 2016-08-22 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg. Med. Chem. Lett., 27, 2017
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5U86
| Structure of the Aquifex aeolicus LpxC/LPC-069 complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ... | Authors: | Najeeb, J, Lee, C.-J, Zhou, P. | Deposit date: | 2016-12-13 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC. MBio, 8, 2017
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1B4L
| 15 ATMOSPHERE OXYGEN YEAST CU/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE | Descriptor: | COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ZINC ION | Authors: | Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D. | Deposit date: | 1998-12-22 | Release date: | 1999-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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6I3U
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6FH5
| PI3Kg IN COMPLEX WITH Compound 7 | Descriptor: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Petersen, J, Barlaam, B. | Deposit date: | 2018-01-12 | Release date: | 2019-01-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery and Optimisation of a Novel Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent and Selective Ataxia Telangiectasia Mutated (ATM) inhibitors To Be Published
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2PL4
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2PL8
| D(GTATACC) under hydrostatic pressure of 1.04 GPa | Descriptor: | 5'-D(*DGP*DGP*DTP*DAP*DTP*DAP*DCP*DC)-3', SPERMINE | Authors: | Prange, T, Girard, E, Fourme, R, Kahn, R. | Deposit date: | 2007-04-19 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Adaptation of the base-paired double-helix molecular architecture to extreme pressure. Nucleic Acids Res., 35, 2007
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2PKV
| D-(GGTATACC) ambient pressure | Descriptor: | 5'-D(*GP*GP*TP*AP*TP*AP*CP*C)-3' | Authors: | Girard, E, Prange, T, Kahn, R, Fourme, R. | Deposit date: | 2007-04-18 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Adaptation of the base-paired double-helix molecular architecture to extreme pressure. Nucleic Acids Res., 35, 2007
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5Y2R
| 2.5 atm CO2-pressurized human carbonic anhydrase II | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Park, S.Y. | Deposit date: | 2017-07-27 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Active-site solvent replenishment observed during human carbonic anhydrase II catalysis. IUCrJ, 5, 2018
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5Y2S
| 7.0 atm CO2-pressurized human carbonic anhydrase II | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Park, S.Y. | Deposit date: | 2017-07-27 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Active-site solvent replenishment observed during human carbonic anhydrase II catalysis. IUCrJ, 5, 2018
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6GKS
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6GKQ
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6GLW
| Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal solubilizing antibody, 1D11 | Descriptor: | ACETATE ION, Fab 1D11 - Heavy chain, Fab 1D11 - Light chain, ... | Authors: | Verstraete, K, Verschueren, K, Savvides, S.N. | Deposit date: | 2018-05-23 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment. Science, 364, 2019
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6GKT
| X-ray structure of a non-autocrystallizing galectin-10 variant, Gal10-Tyr69Glu | Descriptor: | Galectin-10, HEXAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ... | Authors: | Verstraete, K, Verschueren, K, Savvides, S.N. | Deposit date: | 2018-05-21 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment. Science, 364, 2019
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6GKU
| Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal solubilizing antibody, 6F5 | Descriptor: | CALCIUM ION, Fab 6F5 - Heavy Chain, Fab 6F5 - Light chain, ... | Authors: | Verstraete, K, Verschueren, K, Savvides, S.N. | Deposit date: | 2018-05-21 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment. Science, 364, 2019
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6U7L
| 2.75 Angstrom Crystal Structure of Galactarate Dehydratase from Escherichia coli. | Descriptor: | CALCIUM ION, CHLORIDE ION, Galactarate dehydratase (L-threo-forming) | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-09-03 | Release date: | 2019-11-06 | Last modified: | 2021-01-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of galactarate dehydratase, a new fold in an enolase involved in bacterial fitness after antibiotic treatment. Protein Sci., 29, 2020
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5XZR
| The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b | Descriptor: | 4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Li, D, Xie, J, Zhu, J, Liu, C. | Deposit date: | 2017-07-13 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment. J. Med. Chem., 60, 2017
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6W9K
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6W9M
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6W9L
| Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with deacetylated deflazacort and PGC1a coregulator fragment | Descriptor: | (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one, GLYCEROL, Glucocorticoid Receptor, ... | Authors: | Liu, X, Ortlund, E.A. | Deposit date: | 2020-03-23 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment. Proc.Natl.Acad.Sci.USA, 117, 2020
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6GLX
| Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal solubilizing antibody, 4E8 | Descriptor: | Fab 4E8 - Heavy chain, Fab 4E8 - Light chain, Galectin-10 | Authors: | Verstraete, K, Verschueren, K, Savvides, S.N. | Deposit date: | 2018-05-23 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.396 Å) | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment. Science, 364, 2019
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7U9X
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