7AT3
| Structure of EstD11 in complex with Naproxen and methanol | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-28 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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7ATD
| Structure of inactive EstD11 S144A in complex with methyl-naproxen | Descriptor: | ACETATE ION, EstD11 S144A, FORMIC ACID, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-29 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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8GKF
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4Y5V
| Diabody 305 complex with EpoR | Descriptor: | DI(HYDROXYETHYL)ETHER, Diabody 305 VL domain, Erythropoietin receptor, ... | Authors: | Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C. | Deposit date: | 2015-02-12 | Release date: | 2015-04-29 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands. Cell, 160, 2015
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1LDP
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7AEH
| SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | Descriptor: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | Deposit date: | 2020-09-17 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
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6GNT
| Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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5OEX
| Complex with iodine ion for thiocyanate dehydrogenase from Thioalkalivibrio paradoxus | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, COPPER (II) ION, ... | Authors: | Polyakov, K.M, Tsallagov, S.I, Tikhonova, T.V, Popov, V.O. | Deposit date: | 2017-07-10 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and characterization of a novel copper containing enzyme - THIOCYANATE DEHYDROGENASE. To Be Published
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7N85
| Inner ring spoke from the isolated yeast NPC | Descriptor: | Nucleoporin ASM4, Nucleoporin NIC96, Nucleoporin NSP1, ... | Authors: | Akey, C.W, Rout, M.P, Ouch, C, Echevarria, I, Fernandez-Martinez, J, Nudelman, I. | Deposit date: | 2021-06-13 | Release date: | 2022-01-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Comprehensive structure and functional adaptations of the yeast nuclear pore complex. Cell, 185, 2022
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7N84
| Double nuclear outer ring from the isolated yeast NPC | Descriptor: | Nucleoporin 145c, Nucleoporin NUP120, Nucleoporin NUP133, ... | Authors: | Akey, C.W, Rout, M.P, Ouch, C, Echevarria, I, Fernandez-Martinez, J, Nudelman, I. | Deposit date: | 2021-06-13 | Release date: | 2022-01-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (11.6 Å) | Cite: | Comprehensive structure and functional adaptations of the yeast nuclear pore complex. Cell, 185, 2022
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7N9F
| Structure of the in situ yeast NPC | Descriptor: | Dynein light chain 1, cytoplasmic, Nucleoporin 145c, ... | Authors: | Villa, E, Singh, D, Ludtke, S.J, Akey, C.W, Rout, M.P, Echeverria, I, Suslov, S. | Deposit date: | 2021-06-17 | Release date: | 2022-01-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (37 Å) | Cite: | Comprehensive structure and functional adaptations of the yeast nuclear pore complex. Cell, 185, 2022
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6WGG
| Atomic model of pre-insertion mutant OCCM-DNA complex(ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (41-MER), ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (8.1 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WGC
| Atomic model of semi-attached mutant OCCM-DNA complex (ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) | Descriptor: | Cell division control protein 6, DNA (41-MER), DNA replication licensing factor MCM3, ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
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7MBX
| Human Cholecystokinin 1 receptor (CCK1R) Gs complex | Descriptor: | CHOLESTEROL HEMISUCCINATE, Cholecystokinin receptor type A, Cholecystokinin-8, ... | Authors: | Mobbs, J.I, Belousoff, M.J, Danev, R, Thal, D.M, Sexton, P.M. | Deposit date: | 2021-04-01 | Release date: | 2021-05-26 | Last modified: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (1.95 Å) | Cite: | Structures of the human cholecystokinin 1 (CCK1) receptor bound to Gs and Gq mimetic proteins provide insight into mechanisms of G protein selectivity. Plos Biol., 19, 2021
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6YBY
| Crystal structure of the D116N mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.6 | Descriptor: | EICOSANE, RETINAL, SODIUM ION, ... | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | Deposit date: | 2020-03-18 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular mechanism of light-driven sodium pumping. Nat Commun, 11, 2020
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7MBY
| Human Cholecystokinin 1 receptor (CCK1R) Gq chimera (mGsqi) complex | Descriptor: | CHOLESTEROL HEMISUCCINATE, Cholecystokinin receptor type A, Cholecystokinin-8, ... | Authors: | Mobbs, J.I, Belousoff, M.J, Danev, R, Thal, D.M, Sexton, P.M. | Deposit date: | 2021-04-01 | Release date: | 2021-05-26 | Last modified: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Structures of the human cholecystokinin 1 (CCK1) receptor bound to Gs and Gq mimetic proteins provide insight into mechanisms of G protein selectivity. Plos Biol., 19, 2021
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6YFF
| Virus-like particle of Beihai levi-like virus 21 | Descriptor: | coat protein | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | Deposit date: | 2020-03-26 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes. Sci Adv, 6, 2020
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7AZF
| DNA polymerase sliding clamp from Escherichia coli with peptide 8 bound | Descriptor: | Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7XTA
| Serotonin 4 (5-HT4) receptor-Gi-scFv16 complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | Deposit date: | 2022-05-16 | Release date: | 2022-07-27 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors. Mol.Cell, 82, 2022
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7XT9
| Serotonin 4 (5-HT4) receptor-Gs complex | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | Deposit date: | 2022-05-16 | Release date: | 2022-07-27 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors. Mol.Cell, 82, 2022
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7XT8
| Serotonin 4 (5-HT4) receptor-Gs-Nb35 complex | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | Deposit date: | 2022-05-16 | Release date: | 2022-07-27 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors. Mol.Cell, 82, 2022
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7A01
| The Halastavi arva virus intergenic region IRES promotes translation by the simplest possible initiation mechanism | Descriptor: | 18S RIBOSOMAL RNA, 28S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN ES21, ... | Authors: | Abaeva, I, Vicens, Q, Bochler, A, Soufari, H, Simonetti, A, Pestova, T.V, Hashem, Y, Hellen, C.U.T. | Deposit date: | 2020-08-05 | Release date: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The Halastavi arva Virus Intergenic Region IRES Promotes Translation by the Simplest Possible Initiation Mechanism. Cell Rep, 33, 2020
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6HCU
| Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ... | Authors: | Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | Deposit date: | 2018-08-16 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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8VD0
| Human TCR ET650-4 in complex with DQ8-InsC8-15-IAPP2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide (HIP; InsC8-15-IAPP74-80),MHC class II HLA-DQ-beta-1 chimera, ... | Authors: | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | Deposit date: | 2023-12-14 | Release date: | 2024-08-07 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8. J.Biol.Chem., 300, 2024
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8BQF
| Adenylate Kinase L107I MUTANT | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Scheerer, D, Adkar, B.V, Bhattacharyya, S, Levy, D, Iljina, M, Iljina, I, Dym, O, Haran, G, Shakhnovich, E.I. | Deposit date: | 2022-11-21 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Allosteric communication between ligand binding domains modulates substrate inhibition in adenylate kinase. Proc.Natl.Acad.Sci.USA, 120, 2023
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