3P9K
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5YXT
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6CL4
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![BU of 6cl4 by Molmil](/molmil-images/mine/6cl4) | LipC12 - Lipase from metagenomics | Descriptor: | Lipase C12 | Authors: | Iulek, J, Martini, V.P, Krieger, N, Glogauer, A, Souza, E.M. | Deposit date: | 2018-03-01 | Release date: | 2019-03-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structure solution and analyses of the first true lipase obtained from metagenomics indicate potential for increased thermostability. N Biotechnol, 53, 2019
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6E6M
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![BU of 6e6m by Molmil](/molmil-images/mine/6e6m) | Crystal structure of human cellular retinol-binding protein 1 in complex with cannabidiorcin (CBDO) | Descriptor: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol, Retinol-binding protein 1 | Authors: | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-25 | Release date: | 2019-02-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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5FYQ
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![BU of 5fyq by Molmil](/molmil-images/mine/5fyq) | Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide | Descriptor: | NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, RAN AA 31-43, SULFATE ION, ... | Authors: | Knyphausen, P, de Boor, S, Scislowski, L, Extra, A, Baldus, L, Schacherl, M, Baumann, U, Neundorf, I, Lammers, M. | Deposit date: | 2016-03-09 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Insights Into Lysine-Deacetylation of Natively Folded Substrate Proteins by Sirtuins. J.Biol.Chem., 291, 2016
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2X7X
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![BU of 2x7x by Molmil](/molmil-images/mine/2x7x) | Fructose binding periplasmic domain of hybrid two component system BT1754 | Descriptor: | PHOSPHATE ION, POTASSIUM ION, SENSOR PROTEIN, ... | Authors: | Sonnenburg, E.D, Zheng, H, Joglekar, P, Higginbottom, S, Firbank, S.J, Bolam, D.N, Sonnenburg, J.L. | Deposit date: | 2010-03-04 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Specificity of Polysaccharide Use in Intestinal Bacteroides Species Determines Diet-Induced Microbiota Alterations. Cell(Cambridge,Mass.), 141, 2010
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5FKA
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![BU of 5fka by Molmil](/molmil-images/mine/5fka) | Crystal structure of staphylococcal enterotoxin E in complex with a T cell receptor | Descriptor: | STAPHYLOCOCCAL ENTEROTOXIN E, T CELL RECEPTOR ALPHA CHAIN, T CELL RECEPTOR BETA CHAIN, ... | Authors: | Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K. | Deposit date: | 2015-10-15 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Two Common Structural Motifs for Tcr Recognition by Staphylococcal Enterotoxins. Sci.Rep., 6, 2016
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1JE3
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![BU of 1je3 by Molmil](/molmil-images/mine/1je3) | Solution Structure of EC005 from Escherichia coli | Descriptor: | HYPOTHETICAL 8.6 KDA PROTEIN IN AMYA-FLIE INTERGENIC REGION | Authors: | Yee, A, Gutierrez, P, Kozlov, G, Denisov, A, Gehring, K, Arrowsmith, C. | Deposit date: | 2001-06-15 | Release date: | 2002-03-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An NMR approach to structural proteomics. Proc.Natl.Acad.Sci.USA, 99, 2002
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5Z51
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2GIW
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![BU of 2giw by Molmil](/molmil-images/mine/2giw) | SOLUTION STRUCTURE OF REDUCED HORSE HEART CYTOCHROME C, NMR, 40 STRUCTURES | Descriptor: | CYTOCHROME C, HEME C | Authors: | Banci, L, Bertini, I, Huber, J.G, Spyroulias, G.A, Turano, P. | Deposit date: | 1998-06-25 | Release date: | 1998-12-09 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Solution structure of reduced horse heart cytochrome c. J.Biol.Inorg.Chem., 4, 1999
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6EBE
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![BU of 6ebe by Molmil](/molmil-images/mine/6ebe) | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | Descriptor: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | Deposit date: | 2018-08-06 | Release date: | 2018-11-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles. J. Med. Chem., 61, 2018
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3ZWD
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![BU of 3zwd by Molmil](/molmil-images/mine/3zwd) | The 3-dimensional structure of MpgP from Thermus thermophilus HB27, in complex with the alpha-mannosylglycerate. | Descriptor: | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid, MAGNESIUM ION, MANNOSYL-3-PHOSPHOGLYCERATE PHOSPHATASE | Authors: | Goncalves, S, Esteves, A.M, Santos, H, Borges, N, Matias, P.M. | Deposit date: | 2011-07-28 | Release date: | 2011-10-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.917 Å) | Cite: | The Three-Dimensional Structure of Mannosyl-3-Phosphoglycerate Phosphatase from Thermus Thermophilus Hb27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily. Biochemistry, 50, 2011
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3ZX5
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![BU of 3zx5 by Molmil](/molmil-images/mine/3zx5) | The 3-dimensional structure of MpgP from Thermus thermophilus HB27, covalently bound to vanadate and in complex with alpha- mannosylglycerate and magnesium | Descriptor: | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid, MAGNESIUM ION, MANNOSYL-3-PHOSPHOGLYCERATE PHOSPHATASE, ... | Authors: | Goncalves, S, Esteves, A.M, Santos, H, Borges, N, Matias, P.M. | Deposit date: | 2011-08-07 | Release date: | 2011-10-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The Three-Dimensional Structure of Mannosyl-3-Phosphoglycerate Phosphatase from Thermus Thermophilus Hb27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily. Biochemistry, 50, 2011
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2GRI
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![BU of 2gri by Molmil](/molmil-images/mine/2gri) | NMR Structure of the SARS-CoV non-structural protein nsp3a | Descriptor: | NSP3 | Authors: | Serrano, P, Almeida, M.S, Johnson, M.A, Herrmann, T, Saikatendu, K.S, Joseph, J, Subramanian, V, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2006-04-24 | Release date: | 2006-12-19 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structure of the N-terminal domain of nonstructural protein 3 from the severe acute respiratory syndrome coronavirus. J.Virol., 81, 2007
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3DL4
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![BU of 3dl4 by Molmil](/molmil-images/mine/3dl4) | Non-Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | Descriptor: | Acetylcholinesterase, HEXAETHYLENE GLYCOL | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | Deposit date: | 2008-06-26 | Release date: | 2008-12-02 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation. J.Am.Chem.Soc., 130, 2008
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1SWT
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![BU of 1swt by Molmil](/molmil-images/mine/1swt) | CORE-STREPTAVIDIN MUTANT D128A IN COMPLEX WITH BIOTIN AT PH 4.5 | Descriptor: | BIOTIN, PROTEIN (STREPTAVIDIN) | Authors: | Freitag, S, Le Trong, I, Chu, V, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1998-10-22 | Release date: | 1999-07-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural snapshot of an intermediate on the streptavidin-biotin dissociation pathway. Proc.Natl.Acad.Sci.USA, 96, 1999
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7ZY5
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![BU of 7zy5 by Molmil](/molmil-images/mine/7zy5) | Crystal structure of compound 2 bound to CK2alpha | Descriptor: | 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | Deposit date: | 2022-05-23 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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2JFM
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![BU of 2jfm by Molmil](/molmil-images/mine/2jfm) | CRYSTAL STRUCTURE OF HUMAN STE20-LIKE KINASE (UNLIGANDED FORM) | Descriptor: | 1,2-ETHANEDIOL, STE20-LIKE SERINE-THREONINE KINASE | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Bunkoczi, G, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2007-02-02 | Release date: | 2007-02-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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2WU3
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![BU of 2wu3 by Molmil](/molmil-images/mine/2wu3) | CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH FENAMIPHOS AND HI-6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | Authors: | Hornberg, A, Artursson, E, Warme, R, Pang, Y.-P, Ekstrom, F. | Deposit date: | 2009-09-28 | Release date: | 2009-10-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of Oxime-Bound Fenamiphos-Acetylcholinesterases: Reactivation Involving Flipping of the His447 Ring to Form a Reactive Glu334-His447-Oxime Triad. Biochem.Pharm., 79, 2010
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3ZSY
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![BU of 3zsy by Molmil](/molmil-images/mine/3zsy) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | Descriptor: | (R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM, ACETATE ION, INTEGRASE, ... | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | Deposit date: | 2011-07-01 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
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8A5G
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2JG5
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![BU of 2jg5 by Molmil](/molmil-images/mine/2jg5) | CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOFRUCTOKINASE FROM STAPHYLOCOCCUS AUREUS | Descriptor: | FRUCTOSE 1-PHOSPHATE KINASE | Authors: | Yan, X, Carter, L.G, Johnson, K.A, Liu, H, Dorward, M, McMahon, S.A, Oke, M, Powers, H, Coote, P.J, Naismith, J.H. | Deposit date: | 2007-02-08 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2X08
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![BU of 2x08 by Molmil](/molmil-images/mine/2x08) | cytochrome c peroxidase: ascorbate bound to the engineered ascorbate binding site | Descriptor: | ASCORBIC ACID, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | Authors: | Murphy, E.J, Metcalfe, C.L, Gumiero, A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2009-12-07 | Release date: | 2010-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Engineering the substrate specificity and reactivity of a heme protein: creation of an ascorbate binding site in cytochrome c peroxidase. Biochemistry, 47, 2008
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6E2P
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1G3N
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