5OGP
| Metalacarborane inhibitors of Carbonic Anhydrase IX | Descriptor: | Carbonic anhydrase 2, ZINC ION, cobaltcarborane | Authors: | Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V. | Deposit date: | 2017-07-13 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX. J.Med.Chem., 2019
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6B7V
| Structure of hen egg-white lysozyme pre-treated with high-pressure homogenization at 120 MPa | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Morais, M.A.B, Nascimento, A.F.Z, Tominaga, C.Y, Cristianini, M, Tribst, A.A.L, Murakami, M.T. | Deposit date: | 2017-10-05 | Release date: | 2018-07-25 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | How high pressure pre-treatments affect the function and structure of hen egg-white lysozyme Innov Food Sci Emerg Technol, 47, 2018
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6B64
| IMPase (AF2372) with 25 mM Asp | Descriptor: | ASPARTIC ACID, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, MAGNESIUM ION, ... | Authors: | Goldstein, R.I, Roberts, M. | Deposit date: | 2017-10-01 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372) To Be Published
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6SLM
| Crystal structure of full-length HPV31 E6 oncoprotein in complex with LXXLL peptide of ubiquitin ligase E6AP | Descriptor: | GLYCEROL, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, ... | Authors: | Conrady, M, Gogl, G, Cousido-Siah, A, Mitschler, A, Trave, G, Simon, C. | Deposit date: | 2019-08-20 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of High-Risk Papillomavirus 31 E6 Oncogenic Protein and Characterization of E6/E6AP/p53 Complex Formation. J.Virol., 95, 2020
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6BDX
| 4-hydroxy tetrahydrodipicolinate reductase from Neisseria gonorrhoeae | Descriptor: | 4-hydroxy-tetrahydrodipicolinate reductase, SULFATE ION | Authors: | Pote, S.S, Pye, S.E, Sheahan, T.E, Chruszcz, M. | Deposit date: | 2017-10-24 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 4-Hydroxy-tetrahydrodipicolinate reductase from Neisseria gonorrhoeae - structure and interactions with coenzymes and substrate analog. Biochem. Biophys. Res. Commun., 503, 2018
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2MSS
| MUSASHI1 RBD2, NMR | Descriptor: | PROTEIN (MUSASHI1) | Authors: | Nagata, T, Kanno, R, Kurihara, Y, Uesugi, S, Imai, T, Sakakibara, S, Okano, H, Katahira, M. | Deposit date: | 1999-05-19 | Release date: | 2000-05-19 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure, backbone dynamics and interactions with RNA of the C-terminal RNA-binding domain of a mouse neural RNA-binding protein, Musashi1. J.Mol.Biol., 287, 1999
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5OCI
| Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide | Descriptor: | 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide, Heat shock protein HSP 90-alpha | Authors: | Schuetz, D.A, Richter, L, Amaral, M, Grandits, M, Musil, D, Graedler, U, Frech, M, Ecker, G.F. | Deposit date: | 2017-07-03 | Release date: | 2018-05-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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3M56
| SET7/9 Y305F in complex with TAF10-K189me2 peptide and AdoHcy | Descriptor: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, TAF10-K189me2 PEPTIDE | Authors: | Del Rizzo, P.A, Couture, J.-F, Roiko, M.S, Strunk, B.S, Brunzelle, J.S, Dirk, L.M, Houtz, R.L, Trievel, R.C. | Deposit date: | 2010-03-12 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation. J.Biol.Chem., 285, 2010
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6SP6
| Ultra-high Resolution Crystal Structure of the CTX-M-15 Extended-Spectrum beta-Lactamase in Complex with Taniborbactam (VNRX-5133) | Descriptor: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | 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 (1.1 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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5AD2
| Bivalent binding to BET bromodomains | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
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1L6E
| Solution structure of the docking and dimerization domain of protein kinase A II-alpha (RIIalpha D/D). Alternatively called the N-terminal dimerization domain of the regulatory subunit of protein kinase A. | Descriptor: | cAMP-dependent protein kinase Type II-alpha regulatory chain | Authors: | Morikis, D, Roy, M, Newlon, M.G, Scott, J.D, Jennings, P.A. | Deposit date: | 2002-03-08 | Release date: | 2002-04-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Electrostatic properties of the structure of the docking and dimerization domain of protein kinase A IIalpha Eur.J.Biochem., 269, 2002
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2MX8
| NMR structure of N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 7.2 | Descriptor: | Minor ampullate spidroin | Authors: | Otikovs, M, Jaudzems, K, Chen, G, Nordling, K, Rising, A, Johansson, J. | Deposit date: | 2014-12-17 | Release date: | 2015-08-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Diversified Structural Basis of a Conserved Molecular Mechanism for pH-Dependent Dimerization in Spider Silk N-Terminal Domains. Chembiochem, 16, 2015
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5OJQ
| The modeled structure of of wild type extended type VI secretion system sheath/tube complex in vibrio cholerae based on cryo-EM reconstruction of the non-contractile sheath/tube complex | Descriptor: | Haemolysin co-regulated protein, Type VI secretion protein, VipA | Authors: | Wang, J, Brackmann, M, Castano-Diez, D, Kudryashev, M, Goldie, K, Maier, T, Stahlberg, H, Basler, M. | Deposit date: | 2017-07-22 | Release date: | 2017-08-09 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structure of the extended type VI secretion system sheath-tube complex. Nat Microbiol, 2, 2017
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6B72
| A novel HIV-1 Nef dimer interface induced by a single octyl-glucoside molecule | Descriptor: | Protein Nef, octyl beta-D-glucopyranoside | Authors: | Wu, M, Augelli-Szafran, C.E, Ptak, R.G, Smithgall, T.E. | Deposit date: | 2017-10-03 | Release date: | 2018-02-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A single beta-octyl glucoside molecule induces HIV-1 Nef dimer formation in the absence of partner protein binding. PLoS ONE, 13, 2018
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1LJ4
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6B7J
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1LJI
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6B66
| IMPase (AF2372) R92Q/K164E with 400 mM Glutamate | Descriptor: | Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Goldstein, R.I, Roberts, M. | Deposit date: | 2017-10-01 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372) To Be Published
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6B6J
| Structure of profilin Art v4 | Descriptor: | Profilin-1 | Authors: | Pye, S.E, Pote, S.S, Chruszcz, M. | Deposit date: | 2017-10-02 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparative structural and thermal stability studies of Cuc m 2.0101, Art v 4.0101 and other allergenic profilins. Mol.Immunol., 114, 2019
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6BB7
| Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methyl-1,2-dihydropyridin-2-one | Descriptor: | 3-methylpyridin-2-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-10-17 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methylpyridin-1-ium-2-olate To Be Published
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6BDG
| HFQ monomer in spacegroup p6 at 1.93 angstrom resolution | Descriptor: | RNA-binding protein Hfq | Authors: | Brown, C, Zhang, K, Seo, C, Ellis, M.J, Hanniford, D.B, Junop, M. | Deposit date: | 2017-10-23 | Release date: | 2017-11-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.964 Å) | Cite: | HFQ monomer in spacegroup p6 at 1.93 angstrom resolution To Be Published
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2MV8
| Solution structure of Ovis Aries PrP with mutation delta190-197 | Descriptor: | Major prion protein | Authors: | Munoz, C, Egalon, A, Beringue, V, Rezaei, H, Dron, M, Sizun, C. | Deposit date: | 2014-09-25 | Release date: | 2015-10-07 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Generating Bona Fide Mammalian Prions with Internal Deletions. J.Virol., 90, 2016
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6BBM
| Mechanisms of Opening and Closing of the Bacterial Replicative Helicase: The DnaB Helicase and Lambda P Helicase Loader Complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Replication protein P, Replicative DNA helicase | Authors: | Chase, J, Catalano, A, Noble, A.J, Eng, E.T, Olinares, P.D.B, Molloy, K, Pakotiprapha, D, Samuels, M, Chain, B, des Georges, A, Jeruzalmi, D. | Deposit date: | 2017-10-18 | Release date: | 2019-03-06 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Mechanisms of opening and closing of the bacterial replicative helicase. Elife, 7, 2018
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5A7C
| Crystal structure of the second bromodomain of human BRD3 in complex with compound | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE | Authors: | Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B. | Deposit date: | 2015-07-03 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins. Cancer Res., 76, 2016
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6B92
| Crystal Structure of the N-terminal domain of human METTL16 in complex with SAH | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase | Authors: | Ruszkowska, A, Ruszkowski, M, Dauter, Z, Brown, J.A. | Deposit date: | 2017-10-09 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into the RNA methyltransferase domain of METTL16. Sci Rep, 8, 2018
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