8AZ7
 
 | | IAPP S20G plateau-phase fibril polymorph 4PF-LJ | | Descriptor: | Islet amyloid polypeptide | | Authors: | Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A. | | Deposit date: | 2022-09-05 | | Release date: | 2024-01-10 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
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8V2Y
 | | Room temperature X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | | Authors: | Ansari, A, Khan, S.A, Miller, A.F. | | Deposit date: | 2023-11-24 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structure, dynamics, and redox reactivity of an all-purpose flavodoxin.
J.Biol.Chem., 300, 2024
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5LP4
 | | Penicillin-Binding Protein (PBP2) from Helicobacter pylori | | Descriptor: | Penicillin-binding protein 2 (Pbp2), SULFATE ION | | Authors: | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Boneca, I.G, Dessen, A. | | Deposit date: | 2016-08-11 | | Release date: | 2017-08-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex.
Nat Commun, 8, 2017
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3BD8
 | | Glucogen Phosphorylase complex with 1(-D-glucopyranosyl) cytosine | | Descriptor: | 4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form, ... | | Authors: | Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G. | | Deposit date: | 2007-11-14 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
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8GXV
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8V9G
 | | GES-5-meropenem complex | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, IODIDE ION, ... | | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase.
Acs Infect Dis., 10, 2024
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1FCN
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7RU1
 | | SARS-CoV-2-6P-Mut7 S protein (C3 symmetry) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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7K1Y
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5QPK
 | | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000586a | | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | | Deposit date: | 2019-03-12 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
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6ZJU
 | | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with saccharose | | Descriptor: | ACETATE ION, Beta-galactosidase, MALONATE ION, ... | | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | | Deposit date: | 2020-06-29 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
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6YXY
 | | State B of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate | | Descriptor: | 12S ribosomal RNA, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2020-05-04 | | Release date: | 2020-10-14 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
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5QQC
 | | Crystal Structure of T. cruzi FPPS after initial refinement with no ligand modelled (structure $n) | | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, MAGNESIUM ION, ... | | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | | Deposit date: | 2019-03-14 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | PanDDA analysis group deposition of ground-state model - FPPS screened against the DSI Fragment Library
To Be Published
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2VIM
 | | X-ray structure of Fasciola hepatica thioredoxin | | Descriptor: | THIOREDOXIN | | Authors: | Line, K, Isupov, M.N, Garcia-Rodriguez, E, Maggioli, G, Parra, F, Littlechild, J.A. | | Deposit date: | 2007-12-05 | | Release date: | 2008-07-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | The Fasciola Hepatica Thioredoxin: High Resolution Structure Reveals Two Oxidation States.
Mol.Biochem.Parasitol., 161, 2008
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7Z1G
 | | Crystal structure of nonphosphorylated (Tyr216) GSK3b in complex with CX-4945 | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ... | | Authors: | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | | Deposit date: | 2022-02-24 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of nonphosphorylated (Tyr216) GSK3b kinase in complex with CX-4945
To Be Published
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6BW5
 | | Human GPT (DPAGT1) in complex with tunicamycin | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase | | Authors: | Yoo, J, Kuk, A.C.Y, Mashalidis, E.H, Lee, S.-Y. | | Deposit date: | 2017-12-14 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | GlcNAc-1-P-transferase-tunicamycin complex structure reveals basis for inhibition of N-glycosylation.
Nat. Struct. Mol. Biol., 25, 2018
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8V6K
 | | Apo-state cryo-EM structure of human TRPV3 in cNW30 nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-12-01 | | Release date: | 2024-04-17 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.46 Å) | | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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9AME
 | | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 S42G | | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | | Deposit date: | 1999-01-24 | | Release date: | 1999-04-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
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7V19
 | | Local refinement of Band 3-II transmembrane domains, class 1 of erythrocyte ankyrin-1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ... | | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | | Deposit date: | 2022-05-11 | | Release date: | 2022-07-20 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
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8BHY
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8V6N
 | | Open-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, ARACHIDONIC ACID, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-12-01 | | Release date: | 2024-04-17 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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8BH3
 | | DNA-PK Ku80 mediated dimer bound to PAXX | | Descriptor: | DNA (25-MER), DNA (26-MER), DNA (27-MER), ... | | Authors: | Hardwick, S.W, Chaplin, A.K. | | Deposit date: | 2022-10-28 | | Release date: | 2023-06-07 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
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8W2L
 | | TRPM7 structure in complex with anticancer agent CCT128930 in closed state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, ... | | Authors: | Nadezhdin, K.D, Sobolevsky, A.I. | | Deposit date: | 2024-02-20 | | Release date: | 2024-04-17 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.45 Å) | | Cite: | Structural basis of selective TRPM7 inhibition by the anticancer agent CCT128930.
Cell Rep, 43, 2024
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8V9H
 | | GES-5-NA-1-157 complex | | Descriptor: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase.
Acs Infect Dis., 10, 2024
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7RU2
 | | SARS-CoV-2-6P-Mut7 S protein (asymmetric) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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