4PDH
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![BU of 4pdh by Molmil](/molmil-images/mine/4pdh) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_1871, TARGET EFI-510164) BOUND TO D-ERYTHRONATE | Descriptor: | (2R,3R)-2,3,4-trihydroxybutanoic acid, TRAP dicarboxylate transporter, DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-18 | Release date: | 2014-05-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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8JJA
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![BU of 8jja by Molmil](/molmil-images/mine/8jja) | SP1746 in complex with acetate ions | Descriptor: | ACETATE ION, FE (III) ION, bis(5'-nucleosyl)-tetraphosphatase (symmetrical) | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-05-30 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 2024
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1SGH
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![BU of 1sgh by Molmil](/molmil-images/mine/1sgh) | Moesin FERM domain bound to EBP50 C-terminal peptide | Descriptor: | Ezrin-radixin-moesin binding phosphoprotein 50, Moesin | Authors: | Finnerty, C.M, Chambers, D, Ingraffea, J, Faber, H.R, Karplus, P.A, Bretscher, A. | Deposit date: | 2004-02-23 | Release date: | 2004-06-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The EBP50-moesin interaction involves a binding site regulated by direct masking on the FERM domain J.Cell.Sci., 117, 2004
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2YNW
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![BU of 2ynw by Molmil](/molmil-images/mine/2ynw) | GIM-1-2Mol native. Crystal structures of Pseudomonas aeruginosa GIM- 1: active site plasticity in metallo-beta-lactamases | Descriptor: | GIM-1 PROTEIN, GLYCEROL, SULFATE ION, ... | Authors: | Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S. | Deposit date: | 2012-10-18 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases. Antimicrob.Agents Chemother., 57, 2013
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4PE3
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![BU of 4pe3 by Molmil](/molmil-images/mine/4pe3) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3620, TARGET EFI-510199), APO OPEN STRUCTURE | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, IMIDAZOLE, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-22 | Release date: | 2014-05-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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1PBU
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![BU of 1pbu by Molmil](/molmil-images/mine/1pbu) | Solution structure of the C-terminal domain of the human eEF1Bgamma subunit | Descriptor: | Elongation factor 1-gamma | Authors: | Vanwetswinkel, S, Kriek, J, Andersen, G.R, Guntert, P, Dijk, J, Canters, G.W, Siegal, G. | Deposit date: | 2003-05-15 | Release date: | 2003-07-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 1H, (15)N and (13)C resonance assignments of the highly conserved 19 kDa C-terminal domain from human Elongation Factor 1Bgamma. J.Biomol.Nmr, 26, 2003
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4ZSL
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![BU of 4zsl by Molmil](/molmil-images/mine/4zsl) | MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR | Descriptor: | 3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7 | Authors: | Ogg, D.J, Tucker, J. | Deposit date: | 2015-05-13 | Release date: | 2016-05-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site. Acta Crystallogr D Struct Biol, 72, 2016
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8JK8
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![BU of 8jk8 by Molmil](/molmil-images/mine/8jk8) | SP1746 in complex with UDP | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ... | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-06-01 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 2024
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7ZHL
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![BU of 7zhl by Molmil](/molmil-images/mine/7zhl) | Salmonella enterica Rhs1 C-terminal toxin TreTu | Descriptor: | RHS repeat protein, ZINC ION | Authors: | Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E. | Deposit date: | 2022-04-06 | Release date: | 2022-11-23 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop. Nucleic Acids Res., 50, 2022
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5A5W
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![BU of 5a5w by Molmil](/molmil-images/mine/5a5w) | Crystal structure of Salmonella enterica HisA D7N D176A with ProFAR | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M. | Deposit date: | 2015-06-23 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa J.Biol.Chem., 290, 2015
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7ZHM
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![BU of 7zhm by Molmil](/molmil-images/mine/7zhm) | Salmonella enterica Rhs1 C-terminal toxin TreTu complex with TriTu immunity protein | Descriptor: | Immunity protein TriTu, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rhs1 protein, ... | Authors: | Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E. | Deposit date: | 2022-04-06 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop. Nucleic Acids Res., 50, 2022
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3K6U
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![BU of 3k6u by Molmil](/molmil-images/mine/3k6u) | M. acetivorans Molybdate-Binding Protein (ModA) in Unliganded Open Form | Descriptor: | Solute-binding protein MA_0280 | Authors: | Chan, S, Giuroiu, I, Chernishof, I, Sawaya, M.R, Chiang, J, Gunsalus, R.P, Arbing, M.A, Perry, L.J. | Deposit date: | 2009-10-09 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Apo and ligand-bound structures of ModA from the archaeon Methanosarcina acetivorans Acta Crystallogr.,Sect.F, 66, 2010
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2Y6H
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![BU of 2y6h by Molmil](/molmil-images/mine/2y6h) | X-2 L110F CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | Descriptor: | CALCIUM ION, XYLANASE | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | Deposit date: | 2011-01-21 | Release date: | 2012-03-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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5A4P
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![BU of 5a4p by Molmil](/molmil-images/mine/5a4p) | Structure of UBE2Z provides functional insight into specificity in the FAT10 conjugation machinery | Descriptor: | DI(HYDROXYETHYL)ETHER, MALONATE ION, UBIQUITIN-CONJUGATING ENZYME E2 Z | Authors: | Schelpe, J, Monte, D, Dewitte, F, Sixma, T.K, Rucktooa, P. | Deposit date: | 2015-06-11 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Ube2Z Provides Functional Insight Into Specificity in the Fat10 Conjugation Machinery J.Biol.Chem., 291, 2016
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8A1Z
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![BU of 8a1z by Molmil](/molmil-images/mine/8a1z) | Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium in complex with 1-(2,4-dichlorophenyl)-3-hydroxyurea | Descriptor: | 1-(2,4-dichlorophenyl)-3-oxidanyl-urea, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Haufroid, M, Wouters, J. | Deposit date: | 2022-06-02 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Targeting the phosphoserine phosphatase MtSerB2 for tuberculosis drug discovery, an hybrid knowledge based /fragment based approach. Eur.J.Med.Chem., 245, 2022
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8JL1
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![BU of 8jl1 by Molmil](/molmil-images/mine/8jl1) | membrane proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Yu, J, Ge, J.P, Xu, R.S. | Deposit date: | 2023-06-02 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | membrane proteins To Be Published
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2Y89
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![BU of 2y89 by Molmil](/molmil-images/mine/2y89) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PHOSPHORIBOSYL ISOMERASE A (VARIANT D11N) | Descriptor: | PHOSPHORIBOSYL ISOMERASE A, SULFATE ION | Authors: | Due, A.V, Kuper, J, Geerlof, A, Wilmanns, M. | Deposit date: | 2011-02-03 | Release date: | 2011-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bisubstrate Specificity in Histidine/Tryptophan Biosynthesis Isomerase from Mycobacterium Tuberculosis by Active Site Metamorphosis. Proc.Natl.Acad.Sci.USA, 108, 2011
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2YL2
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![BU of 2yl2 by Molmil](/molmil-images/mine/2yl2) | Crystal structure of human acetyl-CoA carboxylase 1, biotin carboxylase (BC) domain | Descriptor: | ACETYL-COA CARBOXYLASE 1 | Authors: | Muniz, J.R.C, Froese, D.S, Krysztofinska, E, Vollmar, M, Beltrami, A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W, Oppermann, U. | Deposit date: | 2011-05-31 | Release date: | 2011-06-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Acetyl-Coa Carboxylase 1, Biotin Carboxylase (Bc) Domain To be Published
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7K7W
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![BU of 7k7w by Molmil](/molmil-images/mine/7k7w) | The X-ray crystal structure of SSR4, an S. pombe chromatin remodelling protein: native | Descriptor: | CHLORIDE ION, GLYCEROL, SWI/SNF and RSC complexes subunit ssr4 | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2020-09-24 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The X-ray crystal structure of the N-terminal domain of Ssr4, a Schizosaccharomyces pombe chromatin-remodelling protein. Acta Crystallogr.,Sect.F, 76, 2020
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5ALB
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![BU of 5alb by Molmil](/molmil-images/mine/5alb) | Ticagrelor antidote candidate MEDI2452 in complex with ticagrelor | Descriptor: | MEDI2452 HEAVY CHAIN, MEDI2452 LIGHT CHAIN, Ticagrelor | Authors: | Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S. | Deposit date: | 2015-03-07 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural and Functional Characterisation of a Specific Antidote for Ticagrelor. Blood, 125, 2015
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8A0V
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![BU of 8a0v by Molmil](/molmil-images/mine/8a0v) | Crystal structure of TEAD3 in complex with CPD2 | Descriptor: | DIMETHYL SULFOXIDE, MYRISTIC ACID, PHOSPHATE ION, ... | Authors: | Scheufler, C, Kallen, J. | Deposit date: | 2022-05-30 | Release date: | 2022-08-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.699 Å) | Cite: | The First Class of Small Molecules Potently Disrupting the YAP-TEAD Interaction by Direct Competition. Chemmedchem, 17, 2022
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3K8A
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![BU of 3k8a by Molmil](/molmil-images/mine/3k8a) | Neisseria gonorrhoeae PriB | Descriptor: | Putative primosomal replication protein | Authors: | Lopper, M.E, Dong, J, George, N.P, Duckett, K.L, DeBeer, M.A. | Deposit date: | 2009-10-14 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure of Neisseria gonorrhoeae PriB reveals mechanistic differences among bacterial DNA replication restart pathways Nucleic Acids Res., 38, 2010
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2Y8A
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![BU of 2y8a by Molmil](/molmil-images/mine/2y8a) | VIM-7 with Oxidised. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases | Descriptor: | MAGNESIUM ION, METALLO-B-LACTAMASE, UNKNOWN ATOM OR ION, ... | Authors: | Saradhi, P, Leiros, H.-K.S, Ahmad, R, Spencer, J, Leiros, I, Walsh, T.R, Sundsfjord, A, Samuelsen, O. | Deposit date: | 2011-02-03 | Release date: | 2011-06-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases J.Mol.Biol., 411, 2011
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2YIX
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![BU of 2yix by Molmil](/molmil-images/mine/2yix) | Triazolopyridine Inhibitors of p38 | Descriptor: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | Deposit date: | 2011-05-17 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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8JH5
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![BU of 8jh5 by Molmil](/molmil-images/mine/8jh5) | |