8ETS
 
 | | Class1 of the INO80-Hexasome complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | | Deposit date: | 2022-10-17 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
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8G14
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8G13
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8G12
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6CDX
 | | High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin | | Descriptor: | cystine knot (fluoropropylated) | | Authors: | Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V. | | Deposit date: | 2018-02-09 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
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8G16
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8G17
 | | CryoEM structure of wild-type GAPDH | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Choi, W.Y, Wu, H, Cheng, Y.F. | | Deposit date: | 2023-02-01 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (1.98 Å) | | Cite: | Efficient tagging of endogenous proteins in human cell lines for structural studies by single-particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8G15
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5ZNJ
 | | Crystal structure of a bacterial ProRS with ligands | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cheng, B, Yu, Y, Zhou, H. | | Deposit date: | 2018-04-09 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
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5ZNK
 | | Crystal structure of a bacterial ProRS with ligands | | Descriptor: | 7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cheng, B, Yu, Y, Zhou, H. | | Deposit date: | 2018-04-09 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
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7C02
 | | Crystal structure of dimeric MERS-CoV receptor binding domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Dai, L, Qi, J, Gao, G.F. | | Deposit date: | 2020-04-30 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS.
Cell, 182, 2020
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8H99
 | | Crystal structure of E. coli ThrS catalytic domain mutant | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, IMIDAZOLE, MAGNESIUM ION, ... | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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8H9C
 | | Crystal structure of chemically modified E. coli ThrS catalytic domain 4 | | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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8H98
 | | Crystal structure of chemically modified E. coli ThrS catalytic domain 1 | | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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8H9B
 | | Crystal structure of chemically modified E. coli ThrS catalytic domain 3 | | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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8H9A
 | | Crystal structure of chemically modified E. coli ThrS catalytic domain 2 | | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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6UBT
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6UD3
 | | Full length Glycine receptor reconstituted in lipid nanodisc in Gly/PTX-bound open/blocked conformation | | 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, GLYCINE, ... | | Authors: | Kumar, A, Basak, S, Chakrapani, S. | | Deposit date: | 2019-09-18 | | Release date: | 2020-07-29 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
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4KZ2
 | | Crystal Structure of phi29 pRNA 3WJ Core | | Descriptor: | MANGANESE (II) ION, phi29 pRNA 3WJ core RNA 16 mer, phi29 pRNA 3WJ core RNA 18 mer, ... | | Authors: | Zhang, H, Endrizzi, J.A, Shu, Y, Haque, F, Sauter, C, Guo, P, Chi, Y.-I. | | Deposit date: | 2013-05-29 | | Release date: | 2013-10-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structure of 3WJ core revealing divalent ion-promoted thermostability and assembly of the Phi29 hexameric motor pRNA.
Rna, 19, 2013
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6VM0
 | | Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-1) | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Kumar, A, Basak, S, Chakrapani, S. | | Deposit date: | 2020-01-27 | | Release date: | 2020-07-29 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
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7T32
 | | CryoEM structure of the adenosine 2A receptor-BRIL/Anti BRIL Fab complex with ZM241385 | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 Fusion Protein | | Authors: | Zhang, K.H, Wu, H, Hoppe, N, Manglik, A, Cheng, Y.F. | | Deposit date: | 2021-12-06 | | Release date: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Fusion protein strategies for cryo-EM study of G protein-coupled receptors.
Nat Commun, 13, 2022
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8ACL
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | | Descriptor: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | Deposit date: | 2022-07-05 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
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8ACD
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | | Descriptor: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | Deposit date: | 2022-07-05 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
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4IP8
 | | Structure of human serum amyloid A1 | | Descriptor: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, SULFATE ION, Serum amyloid A-1 protein | | Authors: | Lu, J, Sun, P.D. | | Deposit date: | 2013-01-09 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.193 Å) | | Cite: | Structural mechanism of serum amyloid A-mediated inflammatory amyloidosis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4IP9
 | | Structure of native human serum amyloid A1 | | Descriptor: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Serum amyloid A-1 protein | | Authors: | Lu, J, Sun, P.D. | | Deposit date: | 2013-01-09 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural mechanism of serum amyloid A-mediated inflammatory amyloidosis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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