7UV6
| Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold duplex (21mer) containing the cognate REPE54 sequence and an insert duplex (10mer) with guest TAMRA-labelled thymine and G-C rich sequence. | Descriptor: | DNA (5'-D(*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(*GP*AP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(*GP*T(TAMRA)P*CP*CP*GP*GP*GP*CP*CP*G)-3'), ... | Authors: | Orun, A.R, Snow, C.D. | Deposit date: | 2022-04-29 | Release date: | 2023-05-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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7PRI
| Carbonic Anhydrase from Schistosoma Mansoni in complex with clorsulon | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2021-09-21 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies. Acta Crystallogr D Struct Biol, 78, 2022
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6FAD
| SR protein kinase 1 (SRPK1) in complex with the RGG-box of HSV1 ICP27 | Descriptor: | PHOSPHATE ION, SRSF protein kinase 1, mRNA export factor | Authors: | Tunnicliffe, R.B, Levy, C, Mould, A.P, Mckenzie, E.A, Sandri-Goldin, R.M, Golovanov, A.P. | Deposit date: | 2017-12-15 | Release date: | 2019-09-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Molecular Mechanism of SR Protein Kinase 1 Inhibition by the Herpes Virus Protein ICP27. Mbio, 10, 2019
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5GJG
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4 | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD) Chem.Pharm.Bull., 64, 2016
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6SMF
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8JWV
| Untethered R0RBR | Descriptor: | BARIUM ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | Authors: | Lenka, D.R, Kumar, A. | Deposit date: | 2023-06-29 | Release date: | 2024-07-03 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Additional feedforward mechanism of Parkin activation via binding of phospho-UBL and RING0 in trans. Elife, 13, 2024
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7YWS
| Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 3 spermine molecules at 1.7 A resolution | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | Deposit date: | 2022-02-14 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Elucidation of the Conformational Transition of Oligopeptidase B by an Integrative Approach Based on the Combination of X-ray, SAXS, and Essential Dynamics Sampling Simulation Crystals, 12, 2022
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5JRR
| Crystal structure of native laccase from Thermus thermophilus HB27 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ... | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | Deposit date: | 2016-05-06 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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6FK3
| Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant full-length protein in complex with propanal) | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T. | Deposit date: | 2018-01-23 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension. Sci Rep, 8, 2018
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6MHM
| Crystal structure of human acid ceramidase in covalent complex with carmofur | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dementiev, A, Joachimiak, A, Doan, N. | Deposit date: | 2018-09-18 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.743 Å) | Cite: | Molecular Mechanism of Inhibition of Acid Ceramidase by Carmofur. J. Med. Chem., 62, 2019
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6MHX
| Structure of human TRPV3 in the presence of 2-APB in C2 symmetry (2) | Descriptor: | Transient receptor potential cation channel subfamily V member 3 | Authors: | Zubcevic, L, Herzik, M.A, Wu, M, Borschel, W.F, Hirschi, M, Song, A, Lander, G.C, Lee, S.Y. | Deposit date: | 2018-09-18 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Conformational ensemble of the human TRPV3 ion channel. Nat Commun, 9, 2018
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4RGN
| Structure of Staphylococcal Enterotoxin B bound to two neutralizing antibodies, 14G8 and 6D3 | Descriptor: | 14G8 heavy chain, 14G8 light chain, 6D3 heavy chain, ... | Authors: | Franklin, M.C, Dutta, K, Varshney, A.K, Goger, M.J, Fries, B.C. | Deposit date: | 2014-09-30 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Mechanisms mediating enhanced neutralization efficacy of staphylococcal enterotoxin B by combinations of monoclonal antibodies. J.Biol.Chem., 290, 2015
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7YX7
| Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 1 spermine molecule at 1.72 A resolution | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | Deposit date: | 2022-02-15 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Elucidation of the Conformational Transition of Oligopeptidase B by an Integrative Approach Based on the Combination of X-ray, SAXS, and Essential Dynamics Sampling Simulation Crystals, 12, 2022
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7KXB
| Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329 | Descriptor: | BETA-MERCAPTOETHANOL, N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea, Non-structural protein 3, ... | Authors: | Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-12-03 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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5JVH
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6AN9
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5N9X
| Structure of adenylation domain THR1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces SP.OH-5093, ligand bound structure | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenylation domain, MAGNESIUM ION, ... | Authors: | Savino, C, Vallone, B, Scaglione, A, Parisi, G, Montemiglio, L.C, Fullone, M.R, Grgurina, I. | Deposit date: | 2017-02-27 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | Structure of the adenylation domain Thr1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces sp. OH-5093-protein flexibility and molecular bases of substrate specificity. FEBS J., 284, 2017
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6SX1
| Structure of Rib Standard, a Rib domain from Lactobacillus acidophilus | Descriptor: | Surface protein | Authors: | Cooper, R.E.M, Griffiths, S.C, Turkenburg, J.P, Bateman, A, Potts, J.R. | Deposit date: | 2019-09-24 | Release date: | 2019-12-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection. Proc.Natl.Acad.Sci.USA, 116, 2019
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4YBZ
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6FL8
| Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-01-25 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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7MWM
| Crystal structure of MBD2 with DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | Authors: | Liu, K, Dong, A, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2021-05-17 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Crystal structure of MBD2 with DNA To Be Published
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6SQC
| Crystal structure of complex between nuclear coactivator binding domain of CBP and [1040-1086]ACTR containing alpha-methylated Leu1055 and Leu1076 | Descriptor: | 1,2-ETHANEDIOL, Maltose/maltodextrin-binding periplasmic protein,CREB-binding protein, Nuclear receptor coactivator 3, ... | Authors: | Bauer, V, Schmidtgall, B, Gogl, G, Dolenc, j, Osz, J, Kostmann, C, Mitschler, A, Cousido-Siah, A, Rochel, N, Trave, G, Kieffer, B, Torbeev, V. | Deposit date: | 2019-09-03 | Release date: | 2020-09-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Conformational editing of intrinsically disordered protein by alpha-methylation. Chem Sci, 12, 2020
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6ESM
| Crystal structure of MMP9 in complex with inhibitor BE4. | Descriptor: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | Authors: | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-10-23 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.104 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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6Y7I
| Structure of the BRD9 bromodomain and compound 2 | Descriptor: | 1,2-ETHANEDIOL, 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9 | Authors: | Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-01 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the BRD9 bromodomain and compound 2 To Be Published
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6AOK
| Crystal structure of Legionella pneumophila effector Ceg4 with N-terminal TEV protease cleavage sequence | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Ceg4, ... | Authors: | Stogios, P.J, Cuff, M.E, Nocek, B, Evdokimova, E, Egorova, O, Yim, V, Di Leo, R, Savchenko, A. | Deposit date: | 2017-08-16 | Release date: | 2018-01-10 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | TheLegionella pneumophilaeffector Ceg4 is a phosphotyrosine phosphatase that attenuates activation of eukaryotic MAPK pathways. J. Biol. Chem., 293, 2018
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