5C0F
| HLA-A02 carrying RQWGPDPAAV | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.463 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5M0Z
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7JWL
| Crystal Structure of Pseudomonas aeruginosa Penicillin Binding Protein 3 (PAE-PBP3) bound to ETX0462 | Descriptor: | CHLORIDE ION, ETX0462 (Bound form), Peptidoglycan D,D-transpeptidase FtsI | Authors: | Mayclin, S.J, Abendroth, J, Horanyi, P.S, Sylvester, M, Wu, X, Shapiro, A, Moussa, S, Durand-Reville, T.F. | Deposit date: | 2020-08-25 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational design of a new antibiotic class for drug-resistant infections. Nature, 597, 2021
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8SWF
| Cryo-EM structure of NLRP3 open octamer | Descriptor: | NACHT, LRR and PYD domains-containing protein 3 | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | Deposit date: | 2023-05-18 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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6UQJ
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6S21
| Metabolism of multiple glycosaminoglycans by bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus (BT33494S-sulf) | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Endo-4-O-sulfatase | Authors: | Ndeh, D, Basle, A, Strahl, H, Henrissat, B, Terrapon, N, Cartmell, A. | Deposit date: | 2019-06-19 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Metabolism of multiple glycosaminoglycans by Bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus. Nat Commun, 11, 2020
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5C0Z
| The structure of oxidized rat cytochrome c at 1.13 angstroms resolution | Descriptor: | Cytochrome c, somatic, HEME C, ... | Authors: | Edwards, B.F.P, Mahapatra, G, Vaishnav, A.A, Brunzelle, J.S, Huttemann, M. | Deposit date: | 2015-06-12 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1236 Å) | Cite: | Serine-47 phosphorylation of cytochromecin the mammalian brain regulates cytochromecoxidase and caspase-3 activity. Faseb J., 2019
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4XRA
| Salmonella typhimurium AhpC T43S mutant | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Perkins, A, Brereton, A.E, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | Deposit date: | 2015-01-20 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
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4XRD
| Salmonella typhimurium AhpC W169F mutant | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | Deposit date: | 2015-01-21 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
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5C0B
| 1E6 TCR in complex with HLA-A02 carrying RQFGPDFPTI | Descriptor: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5LD0
| Chimeric GST | Descriptor: | CHLORIDE ION, Glutathione S-transferase A1,Glutathione S-transferase alpha-2,Glutathione S-transferase A1 | Authors: | Axarli, A, Muleta, A.W, Chronopoulou, E.G, Papageorgiou, A.C, Labrou, N.E. | Deposit date: | 2016-06-23 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Directed evolution of glutathione transferases towards a selective glutathione-binding site and improved oxidative stability. Biochim. Biophys. Acta, 1861, 2017
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6F7H
| Crystal structure of human AQP10 | Descriptor: | Aquaporin-10, GLYCEROL, nonyl beta-D-glucopyranoside | Authors: | Gotfryd, K, Wang, K, Missel, J.W, Pedersen, P.A, Gourdon, P. | Deposit date: | 2017-12-08 | Release date: | 2018-11-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Human adipose glycerol flux is regulated by a pH gate in AQP10. Nat Commun, 9, 2018
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8F1T
| Structure of an 18mer DegP cage bound to the client protein hTRF1 | Descriptor: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | Authors: | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | Deposit date: | 2022-11-06 | Release date: | 2022-11-23 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (12.1 Å) | Cite: | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP. J.Am.Chem.Soc., 145, 2023
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6F84
| AKR1B1 at 2.55 MGy radiation dose. | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Castellvi, A, Juanhuix, J. | Deposit date: | 2017-12-12 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
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5LZZ
| Structure of the mammalian rescue complex with Pelota and Hbs1l (combined) | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ... | Authors: | Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S. | Deposit date: | 2016-10-02 | Release date: | 2016-11-30 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes. Cell, 167, 2016
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6EZ6
| PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate | Authors: | Convery, M.A, Campos, S, Dalton, S.E. | Deposit date: | 2017-11-14 | Release date: | 2017-12-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition. J. Am. Chem. Soc., 140, 2018
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4XW5
| X-ray structure of PKAc with ATP, CP20, calcium ions | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | Deposit date: | 2015-01-28 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT. J.Biol.Chem., 290, 2015
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6OY9
| Structure of the Rhodopsin-Transducin Complex | Descriptor: | Gt-alpha/Gi1-alpha chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, ... | Authors: | Gao, Y, Hu, H, Ramachandran, S, Erickson, J.W, Cerione, R.A, Skiniotis, G. | Deposit date: | 2019-05-14 | Release date: | 2019-07-24 | Last modified: | 2019-12-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structures of the Rhodopsin-Transducin Complex: Insights into G-Protein Activation. Mol.Cell, 75, 2019
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6EZP
| CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide | Descriptor: | (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1, GLYCEROL | Authors: | Banner, D.W, Benz, J, Kuglstatter, A. | Deposit date: | 2017-11-16 | Release date: | 2018-04-11 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
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7NQG
| The structure of the SBP TarP_Rhp in complex with 4-hydroxyphenylacetate | Descriptor: | 1,2-ETHANEDIOL, 4-HYDROXYPHENYLACETATE, PHOSPHATE ION, ... | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-01 | Release date: | 2021-10-06 | Last modified: | 2022-01-26 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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5LF3
| Human 20S proteasome complex with Bortezomib at 2.1 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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8SF8
| Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide | Descriptor: | N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2023-04-10 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase. J.Med.Chem., 67, 2024
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7B6K
| Crystal structure of MurE from E.coli in complex with Z57715447 | Descriptor: | 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole, CITRIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.838 Å) | Cite: | Crystal structure of MurE from E.coli To Be Published
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5LHS
| The ligand free catalytic domain of murine urokinase-type plasminogen activator | Descriptor: | NICKEL (II) ION, SULFATE ION, Urokinase-type plasminogen activator | Authors: | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. | Deposit date: | 2016-07-12 | Release date: | 2017-06-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.047 Å) | Cite: | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
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6UXI
| Structure of serine hydroxymethyltransferase 8 from Glycine max cultivar Essex complexed with PLP-Glycine | Descriptor: | 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase | Authors: | Korasick, D.A, Tanner, J.J, Beamer, L.J. | Deposit date: | 2019-11-07 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Impaired folate binding of serine hydroxymethyltransferase 8 from soybean underlies resistance to the soybean cyst nematode. J.Biol.Chem., 295, 2020
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