7CMD
 
 | | Crystal structure of the SARS-CoV-2 PLpro with GRL0617 | | Descriptor: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION | | Authors: | Gao, X, Cui, S. | | Deposit date: | 2020-07-27 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
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7CJD
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7C4D
 | | Marine microorganism esterase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Putative esterase, ... | | Authors: | Zhu, C.H, Wu, Y.K, Isupov, M.N. | | Deposit date: | 2020-05-16 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural Insights into a Novel Esterase from the East Pacific Rise and Its Improved Thermostability by a Semirational Design.
J.Agric.Food Chem., 69, 2021
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7D64
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7DNF
 | | DARPin 63_B7 in complex with V3-IY (MN) crown mimetic | | Descriptor: | DARPin 63_B7, SULFATE ION, V3-IY (MN) crown mimetic peptide | | Authors: | Wu, Y, Plueckthun, A. | | Deposit date: | 2020-12-09 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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7DNG
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7DNE
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7ALL
 | | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT4683-S1_4) | | Descriptor: | Arylsulfatase, CALCIUM ION, IODIDE ION, ... | | Authors: | Sofia de Jesus Vaz Luis, A, Martens, E.C, Basle, A, Cartmell, A. | | Deposit date: | 2020-10-06 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
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7AN1
 | | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20) | | Descriptor: | Arylsulfatase, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | | Deposit date: | 2020-10-10 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
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7ANB
 | | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ... | | Authors: | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | | Deposit date: | 2020-10-11 | | Release date: | 2021-10-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
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7ANA
 | | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, ... | | Authors: | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | | Deposit date: | 2020-10-11 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
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7APD
 | | Bovine Papillomavirus E1 DNA helicase-replication fork complex | | Descriptor: | DNA (36-MER), DNA (40-MER), Replication protein E1 | | Authors: | Javed, A, Major, B, Stead, J, Sanders, C.M, Orlova, E.V. | | Deposit date: | 2020-10-16 | | Release date: | 2021-11-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Unwinding of a DNA replication fork by a hexameric viral helicase.
Nat Commun, 12, 2021
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7E72
 | | Crystal structure of Tie2-agonistic antibody in complex with human Tie2 Fn2-3 | | Descriptor: | 1,2-ETHANEDIOL, Angiopoietin-1 receptor, the chimeric Fab fragment of 3H7 (heavy chain), ... | | Authors: | Kim, H.M, Jo, G.H, Hong, H.J, Han, A. | | Deposit date: | 2021-02-25 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.094 Å) | | Cite: | Structural insights into the clustering and activation of Tie2 receptor mediated by Tie2 agonistic antibody.
Nat Commun, 12, 2021
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7E9I
 | | Crystal structure of a class I PreQ1 riboswitch aptamer (wild-type) complexed with a cognate ligand-derived photoaffinity probe | | Descriptor: | 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, 33-mer RNA, SULFATE ION | | Authors: | Numata, T, Schneekloth, J.S. | | Deposit date: | 2021-03-04 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A chemical probe based on the PreQ 1 metabolite enables transcriptome-wide mapping of binding sites.
Nat Commun, 12, 2021
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7E9E
 | | Crystal structure of a class I PreQ1 riboswitch aptamer (ab13-14) complexed with a cognate ligand-derived photoaffinity probe | | Descriptor: | 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, 33-mer RNA, MAGNESIUM ION, ... | | Authors: | Numata, T, Schneekloth, J.S. | | Deposit date: | 2021-03-04 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A chemical probe based on the PreQ 1 metabolite enables transcriptome-wide mapping of binding sites.
Nat Commun, 12, 2021
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7DJ1
 | | Crystal structure of the G26C mutant of LeuT | | Descriptor: | LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION | | Authors: | Fan, J, Xiao, Y, Sun, Z, Zhou, X. | | Deposit date: | 2020-11-19 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.528 Å) | | Cite: | Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
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7DII
 | | Crystal structure of LeuT in lipidic cubic phase at pH 7 | | Descriptor: | LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION | | Authors: | Fan, J, Xiao, Y, Sun, Z, Zhou, X. | | Deposit date: | 2020-11-19 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
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7DIX
 | | Crystal structure of LeuT in lipidic cubic phase at pH 5 | | Descriptor: | Na(+):neurotransmitter symporter (Snf family), SELENOMETHIONINE, SODIUM ION | | Authors: | Fan, J, Xiao, Y, Sun, Z, Zhou, X. | | Deposit date: | 2020-11-19 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
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7DJ2
 | | Crystal structure of the G26C/E290S mutant of LeuT | | Descriptor: | LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ... | | Authors: | Fan, J, Xiao, Y, Sun, Z, Zhou, X. | | Deposit date: | 2020-11-19 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
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7DJC
 | | Crystal structure of the G26C/Q250A mutant of LeuT | | Descriptor: | LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ... | | Authors: | Fan, J, Xiao, Y, Sun, Z, Zhou, X. | | Deposit date: | 2020-11-20 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
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4UM3
 | | Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 | | Descriptor: | 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ... | | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | | Deposit date: | 2014-05-14 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
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4UM1
 | | Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573 | | Descriptor: | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN | | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | | Deposit date: | 2014-05-14 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
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4UQ3
 | | Crystal structure of HLA-A0201 in complex with an azobenzene- containing peptide | | Descriptor: | AZOBENZENE-CONTAINING PEPTIDE, BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Thong, S.Y, Yap, J.W, Lim, P.Y, Verhelst, S.H, Lescar, J, Meijers, R, Grotenbreg, G.M. | | Deposit date: | 2014-06-19 | | Release date: | 2014-09-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bioorthogonal cleavage and exchange of major histocompatibility complex ligands by employing azobenzene-containing peptides.
Angew. Chem. Int. Ed. Engl., 53, 2014
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4US2
 | | The crystal structure of H-Ras and SOS in complex with ligands | | Descriptor: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | | Deposit date: | 2014-07-02 | | Release date: | 2015-03-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
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4V3A
 | | Membrane bound pleurotolysin prepore (TMH1 lock) trapped with engineered disulphide cross-link | | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, CaradocDavies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | | Deposit date: | 2014-10-17 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (15 Å) | | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
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