6MDO
| The D1 and D2 domain rings of NSF engaging the SNAP-25 N-terminus within the 20S supercomplex (focused refinement on D1/D2 rings, class 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Synaptosomal-associated protein 25, ... | Authors: | White, K.I, Zhao, M, Brunger, A.T. | Deposit date: | 2018-09-04 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural principles of SNARE complex recognition by the AAA+ protein NSF. Elife, 7, 2018
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6MF5
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9C0Z
| Clathrin terminal domain complexed with pitstop 2d | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | Deposit date: | 2024-05-28 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function To Be Published
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6ZS1
| Chaetomium thermophilum CuZn-superoxide dismutase | Descriptor: | COPPER (II) ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Papageorgiou, A.C, Mohsin, I. | Deposit date: | 2020-07-15 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal Structure of a Cu,Zn Superoxide Dismutase From the Thermophilic Fungus Chaetomium thermophilum. Protein Pept.Lett., 28, 2021
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6WP2
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6UEP
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6X3J
| Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F0224 (46) | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Chaires, H.A, Fraser, J.S. | Deposit date: | 2020-05-21 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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7A9W
| Structure of yeast Rmd9p in complex with 20nt target RNA | Descriptor: | CHLORIDE ION, Protein RMD9, mitochondrial, ... | Authors: | Hillen, H.S, Markov, D.A, Ireneusz, W.D, Hofmann, K.B, Cowan, A.T, Jones, J.L, Temiakov, D, Cramer, P, Anikin, M. | Deposit date: | 2020-09-02 | Release date: | 2021-04-07 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The pentatricopeptide repeat protein Rmd9 recognizes the dodecameric element in the 3'-UTRs of yeast mitochondrial mRNAs. Proc.Natl.Acad.Sci.USA, 118, 2021
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6X40
| Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus picrotoxin | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
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7MLE
| Crystal Structure of HLA-A*03:01 in complex with VVRPSVASK, an 9-mer epitope from Influenza B virus | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ... | Authors: | Gras, S, Nguyen, A.T, Szeto, C. | Deposit date: | 2021-04-28 | Release date: | 2022-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Homologous peptides derived from influenza A, B and C viruses induce variable CD8 + T cell responses with cross-reactive potential. Clin Transl Immunology, 11, 2022
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6X5B
| Symmetric model of CD4- and 17-bound B41 HIV-1 Env SOSIP in complex with small molecule GO52 | Descriptor: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2020-05-25 | Release date: | 2020-10-21 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide. Cell Rep, 33, 2020
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6WT7
| Structure of a metazoan TIR-STING receptor from C. gigas in complex with 2',3'-cGAMP | Descriptor: | Metazoan TIR-STING fusion, cGAMP | Authors: | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | Deposit date: | 2020-05-01 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
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7PC8
| The PDZ domain of SNTG1 complexed with the phosphomimetic mutant PDZ-binding motif of RSK1 | Descriptor: | CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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7PCB
| The PDZ domain of SNX27 fused with ANXA2 | Descriptor: | CALCIUM ION, GLYCEROL, Sorting nexin-27,Annexin A2 | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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6UIY
| Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | Descriptor: | ACETATE ION, Streptavidin, {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+) | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | Deposit date: | 2019-10-01 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases. Inorg.Chem., 59, 2020
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6WYD
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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6WRH
| The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant | Descriptor: | CHLORIDE ION, GLYCEROL, Non-structural protein 3, ... | Authors: | Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Welk, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-29 | Release date: | 2020-05-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors. Nat Commun, 12, 2021
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7MLK
| Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution | Descriptor: | 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Krake, S.H, Martinez, P.D.G, Poggi, M.L, Ferreira, M.S, Aguiar, A.C.C, Souza, G.E, Wenlock, M, Jones, B, Steinbrecher, T, Day, T, McPhail, J, Burke, J, Yeo, T, Mok, S, Uhlemann, A.C, Fidock, D.A, Chen, P, Grodsky, N, Deng, Y.L, Guido, R.V.C, Campbell, S.F, Willis, P.A, Dias, L.C. | Deposit date: | 2021-04-28 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity To Be Published
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6X1Y
| Mre11 dimer in complex with small molecule modulator PFMI | Descriptor: | (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclease SbcCD subunit D | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
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7OOU
| NaK C-DI mutant with Li+ and K+ | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-05-28 | Release date: | 2022-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
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8S6H
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7A74
| Structure of G132N BlaC from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ... | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | Deposit date: | 2020-08-27 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Two beta-Lactamase Variants with Reduced Clavulanic Acid Inhibition Display Different Millisecond Dynamics. Antimicrob.Agents Chemother., 65, 2021
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7A5Y
| Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Purkiss, A, Taylor, I.A. | Deposit date: | 2020-08-24 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R p - and S p -dNTP alpha S Diastereomers. Biochemistry, 60, 2021
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8R7H
| Cryo-EM structure of Human SHMT1 | Descriptor: | Serine hydroxymethyltransferase, cytosolic | Authors: | Spizzichino, S, Marabelli, C, Bharadwaj, A, Jakobi, A.J, Chaves-Sanjuan, A, Giardina, G, Bolognesi, M, Cutruzzola, F. | Deposit date: | 2023-11-24 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structure-based mechanism of riboregulation of the metabolic enzyme SHMT1. Mol.Cell, 2024
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5LBS
| structural basis of Zika and Dengue virus potent antibody cross-neutralization | Descriptor: | 1,2-ETHANEDIOL, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8, SULFATE ION, ... | Authors: | Vaney, M.C, Rouvinski, A, Barba-Spaeth, G, Rey, F.A. | Deposit date: | 2016-06-17 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural basis of potent Zika-dengue virus antibody cross-neutralization. Nature, 536, 2016
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