8JNU
 
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6YF9
 | | Virus-like particle of bacteriophage AVE002 | | 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 (3.196 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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4IY6
 | | Crystal structure of the GLUA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and ME-CX516 at 1.72 A resolution | | Descriptor: | GLUTAMIC ACID, GLYCEROL, Glutamate receptor 2, ... | | Authors: | Krintel, C, Frydenvang, K, Harpsoe, K, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2013-01-28 | | Release date: | 2013-10-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural analysis of the positive AMPA receptor modulators CX516 and Me-CX516 in complex with the GluA2 ligand-binding domain
Acta Crystallogr.,Sect.D, 69, 2013
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1IRF
 | | INTERFERON REGULATORY FACTOR-2 DNA BINDING DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | INTERFERON REGULATORY FACTOR-2 | | Authors: | Furui, J, Uegaki, K, Yamazaki, T, Shirakawa, M, Swindells, M.B, Harada, H, Taniguchi, T, Kyogoku, Y. | | Deposit date: | 1997-11-24 | | Release date: | 1998-01-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the IRF-2 DNA-binding domain: a novel subgroup of the winged helix-turn-helix family.
Structure, 6, 1998
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7RSS
 | | Kod-RI incorporating DNA, n+2 | | Descriptor: | DNA polymerase, Primer, Template | | Authors: | Hajjar, M, Chim, N, Chaput, J.C. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystallographic analysis of engineered polymerases synthesizing phosphonomethylthreosyl nucleic acid.
Nucleic Acids Res., 50, 2022
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3AED
 | | Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-phenyl-benzamide | | Descriptor: | 2-iodo-N-phenylbenzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | | Deposit date: | 2010-02-04 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.52 Å) | | Cite: | Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-phenyl-benzamide
To be Published
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5G4A
 | | AadA in complex with ATP and magnesium | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside (3'') (9) adenylyltransferase, ... | | Authors: | Stern, A.L, van der Verren, S, Selmer, M. | | Deposit date: | 2016-05-07 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
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6YMA
 | | MicroED structure of acetazolamide-bound human carbonic anhydrase II | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ZINC ION, ... | | Authors: | Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | | Cite: | Visualizing drug binding interactions using microcrystal electron diffraction.
Commun Biol, 3, 2020
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4J0T
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | | Descriptor: | 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Kuglstatter, A, Stihle, M. | | Deposit date: | 2013-01-31 | | Release date: | 2013-05-01 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
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5KAZ
 | | Human SH2D1B structure | | Descriptor: | SH2 domain-containing protein 1B, SULFATE ION | | Authors: | Taha, M, Nezerwa, E, Nam, H.-J. | | Deposit date: | 2016-06-02 | | Release date: | 2017-04-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The X-ray Crystallographic Structure of Human EAT2 (SH2D1B).
Protein Pept. Lett., 23, 2016
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6Y1J
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3A8M
 | | Crystal structure of Nitrile Hydratase mutant Y72F complexed with Trimethylacetonitrile | | Descriptor: | 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ... | | Authors: | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | | Deposit date: | 2009-10-06 | | Release date: | 2010-04-14 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase
J.Biol.Inorg.Chem., 15, 2010
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4OTG
 | | Crystal Structure of PRK1 Catalytic Domain in Complex with Lestaurtinib | | Descriptor: | Lestaurtinib, Serine/threonine-protein kinase N1 | | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | | Deposit date: | 2014-02-13 | | Release date: | 2014-08-27 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
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6Y1M
 | | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47K mutant | | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light CHAIN | | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | Deposit date: | 2020-02-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5KGO
 | | Structure of K. pneumonia MrkH-c-di-GMP complex | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR | | Authors: | Schumacher, M. | | Deposit date: | 2016-06-13 | | Release date: | 2016-08-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | To be published:
Structures of K. pneumonia MrkH: dual utilization of the PilZ fold for c-di-GMP and DNA binding by a novel activator of biofilm genes
To Be Published
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7RSR
 | | Kod-RI incorporating PMT, n+2 | | Descriptor: | DNA polymerase, Primer, Template | | Authors: | Hajjar, M, Chim, N, Chaput, J.C. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystallographic analysis of engineered polymerases synthesizing phosphonomethylthreosyl nucleic acid.
Nucleic Acids Res., 50, 2022
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3FE6
 | | Crystal structure of a pheromone binding protein from Apis mellifera with a serendipitous ligand at pH 5.5 | | Descriptor: | (20S)-20-methyldotetracontane, CHLORIDE ION, GLYCEROL, ... | | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | | Deposit date: | 2008-11-27 | | Release date: | 2009-12-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Queen bee pheromone binding protein pH induced domain-swapping favors pheromone release
To be Published
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5KIF
 | | Structural impact of single ribonucleotides in DNA | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3'), DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3') | | Authors: | Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W. | | Deposit date: | 2016-06-16 | | Release date: | 2016-08-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Impact of Single Ribonucleotide Residues in DNA.
Chembiochem, 17, 2016
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2ZXY
 | | Crystal Structure of Cytochrome c555 from Aquifex aeolicus | | Descriptor: | Cytochrome c552, HEME C | | Authors: | Obuchi, M, Kawahara, K, Motooka, D, Nakamura, S, Yamanaka, M, Takeda, T, Uchiyama, S, Kobayashi, Y, Ohkubo, T, Sambongi, Y. | | Deposit date: | 2009-01-09 | | Release date: | 2009-08-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Hyperstability and crystal structure of cytochrome c(555) from hyperthermophilic Aquifex aeolicus
Acta Crystallogr.,Sect.D, 65, 2009
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3FE9
 | | Crystal structure of a pheromone binding protein from Apis mellifera with a serendipitous ligand soaked at pH 7.0 | | Descriptor: | (20S)-20-methyldotetracontane, CHLORIDE ION, Pheromone-binding protein ASP1 | | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | | Deposit date: | 2008-11-28 | | Release date: | 2009-12-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Queen bee pheromone binding protein pH induced domain-swapping favors pheromone release
To be Published
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4OVW
 | | ENDOGLUCANASE I COMPLEXED WITH EPOXYBUTYL CELLOBIOSE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate, ENDOGLUCANASE I | | Authors: | Davies, G.J, Schulein, M. | | Deposit date: | 1997-10-06 | | Release date: | 1998-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the endoglucanase I from Fusarium oxysporum: native, cellobiose, and 3,4-epoxybutyl beta-D-cellobioside-inhibited forms, at 2.3 A resolution.
Biochemistry, 36, 1997
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8JZM
 | | The inhibitor of Toll-like receptor signaling o-vanillin binds covalently to MAL/TIRAP Lys-210 | | Descriptor: | Toll/interleukin-1 receptor domain-containing adapter protein | | Authors: | Rahaman, M.H, Jia, X, Maxwell, M.J, Mobli, M, Kobe, B. | | Deposit date: | 2023-07-05 | | Release date: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2.
J Enzyme Inhib Med Chem, 39, 2024
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4OTH
 | | Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220 | | Descriptor: | BISINDOLYLMALEIMIDE IX, Serine/threonine-protein kinase N1 | | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | | Deposit date: | 2014-02-13 | | Release date: | 2014-08-27 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
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6SP7
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with Taniborbactam (VNRX-5133) | | Descriptor: | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2019-08-31 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
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2ZYW
 | | crystal structure of mouse cytosolic sulfotransferase mSULT1D1 complex with PAP and p-nitrophenol, obtained by two-step soaking method | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, GLYCEROL, P-NITROPHENOL, ... | | Authors: | Teramoto, T, Sakakibara, Y, Liu, M.-C, Suiko, M, Kimura, M, Kakuta, Y. | | Deposit date: | 2009-01-29 | | Release date: | 2009-04-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Snapshot of a Michaelis complex in a sulfuryl transfer reaction: Crystal structure of a mouse sulfotransferase, mSULT1D1, complexed with donor substrate and accepter substrate
Biochem.Biophys.Res.Commun., 383, 2009
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