6JP4
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![BU of 6jp4 by Molmil](/molmil-images/mine/6jp4) | Crystal structure of the catalytic domain of a multi-domain alginate lyase Dp0100 from thermophilic bacterium Defluviitalea phaphyphila | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Alginate lyase, ... | Authors: | Ji, S.Q, Dix, S.R, Aziz, A, Sedelnikova, S.E, Li, F.L, Rice, D.W. | Deposit date: | 2019-03-25 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.069 Å) | Cite: | The molecular basis of endolytic activity of a multidomain alginate lyase fromDefluviitalea phaphyphila, a representative of a new lyase family, PL39. J.Biol.Chem., 294, 2019
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1HEA
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![BU of 1hea by Molmil](/molmil-images/mine/1hea) | |
2BQW
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![BU of 2bqw by Molmil](/molmil-images/mine/2bqw) | CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45 | Descriptor: | 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | Authors: | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | Deposit date: | 2005-04-28 | Release date: | 2006-04-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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5W5K
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![BU of 5w5k by Molmil](/molmil-images/mine/5w5k) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70 | Descriptor: | 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ... | Authors: | Porter, N.J, Christianson, D.W. | Deposit date: | 2017-06-15 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors. J.Med.Chem., 62, 2019
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5AGV
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![BU of 5agv by Molmil](/molmil-images/mine/5agv) | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | Descriptor: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ... | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-03 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
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4ZUO
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![BU of 4zuo by Molmil](/molmil-images/mine/4zuo) | Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a hydroxamate inhibitor | Descriptor: | 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, AMMONIUM ION, Acetylpolyamine aminohydrolase, ... | Authors: | Decroos, C, Christianson, D.W. | Deposit date: | 2015-05-17 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase. Biochemistry, 54, 2015
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2BSH
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4ZUM
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![BU of 4zum by Molmil](/molmil-images/mine/4zum) | Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a trifluoromethylketone inhibitor | Descriptor: | 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, Acetylpolyamine aminohydrolase, GLYCEROL, ... | Authors: | Decroos, C, Christianson, D.W. | Deposit date: | 2015-05-17 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase. Biochemistry, 54, 2015
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1HP0
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![BU of 1hp0 by Molmil](/molmil-images/mine/1hp0) | CRYSTAL STRUCTURE OF AN INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE FROM TRYPANOSOMA VIVAX IN COMPLEX WITH THE SUBSTRATE ANALOGUE 3-DEAZA-ADENOSINE | Descriptor: | 3-DEAZA-ADENOSINE, CALCIUM ION, INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE | Authors: | Versees, W, Decanniere, K, Pelle, R, Depoorter, J, Parkin, D.W, Steyaert, J. | Deposit date: | 2000-12-12 | Release date: | 2001-12-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax. J.Mol.Biol., 307, 2001
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1HQH
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![BU of 1hqh by Molmil](/molmil-images/mine/1hqh) | CRYSTAL STRUCTURE OF THE BINUCLEAR MANGANESE METALLOENZYME ARGINASE COMPLEXED WITH NOR-N-HYDROXY-L-ARGININE | Descriptor: | ARGINASE 1, MANGANESE (II) ION, NOR-N-OMEGA-HYDROXY-L-ARGININE | Authors: | Cox, J.D, Cama, E, Colleluori, D.M, Ash, D.E, Christianson, D.W. | Deposit date: | 2000-12-16 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanistic and metabolic inferences from the binding of substrate analogues and products to arginase. Biochemistry, 40, 2001
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1ZD3
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![BU of 1zd3 by Molmil](/molmil-images/mine/1zd3) | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-butyric acid complex | Descriptor: | 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 2005-04-14 | Release date: | 2006-03-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids Protein Sci., 15, 2006
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5VJ2
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![BU of 5vj2 by Molmil](/molmil-images/mine/5vj2) | Structure of human respiratory syncytial virus non-structural protein 1 (NS1) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Leung, D.W, Borek, D.M, Amarasinghe, G.K. | Deposit date: | 2017-04-18 | Release date: | 2017-07-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural basis for human respiratory syncytial virus NS1-mediated modulation of host responses. Nat Microbiol, 2, 2017
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5A29
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![BU of 5a29 by Molmil](/molmil-images/mine/5a29) | Family 2 Pectate Lyase from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ... | Authors: | McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W. | Deposit date: | 2015-05-15 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2. J.Biol.Chem., 290, 2015
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6K8X
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![BU of 6k8x by Molmil](/molmil-images/mine/6k8x) | Crystal structure of a class C beta lactamase | Descriptor: | Beta-lactamase | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | Deposit date: | 2019-06-13 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1. Antimicrob.Agents Chemother., 63, 2019
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6KA5
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![BU of 6ka5 by Molmil](/molmil-images/mine/6ka5) | Crystal structure of a class C beta-lactamase in complex with cefoxitin | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | Deposit date: | 2019-06-20 | Release date: | 2019-10-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1. Antimicrob.Agents Chemother., 63, 2019
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5VFX
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![BU of 5vfx by Molmil](/molmil-images/mine/5vfx) | Structure of an accessory protein of the pCW3 relaxosome in complex with the origin of transfer (oriT) DNA | Descriptor: | TcpK, oriT | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | Deposit date: | 2017-04-10 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3. Nat Commun, 9, 2018
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2C2T
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![BU of 2c2t by Molmil](/molmil-images/mine/2c2t) | Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate | Descriptor: | (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | Authors: | leung, A.K.W, reynolds, R.C, riordan, J.M, borhani, D.W. | Deposit date: | 2005-09-30 | Release date: | 2007-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation. J.Med.Chem., 50, 2007
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2C16
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![BU of 2c16 by Molmil](/molmil-images/mine/2c16) | 5-(4-Carboxy-2-oxo-butane-1-sulfinyl)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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2BEO
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![BU of 2beo by Molmil](/molmil-images/mine/2beo) | PrfA, Transcriptional Regulator In Listeria Monocytogenes | Descriptor: | ACETAMIDE, CHLORIDE ION, GLUTAMINE, ... | Authors: | Eiting, M, Hagelueken, G, Schubert, W.-D, Heinz, D.W. | Deposit date: | 2004-11-26 | Release date: | 2005-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Mutation G145S in Prfa, a Key Virulence Regulator of Listeria Monocytogenes, Increases DNA-Binding Affinity by Stabilizing the Hth Motif Mol.Microbiol., 56, 2005
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4ZUR
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![BU of 4zur by Molmil](/molmil-images/mine/4zur) | Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a hydroxamate inhibitor | Descriptor: | 7-amino-N-hydroxyheptanamide, AMMONIUM ION, Acetylpolyamine aminohydrolase, ... | Authors: | Decroos, C, Christianson, D.W. | Deposit date: | 2015-05-17 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase. Biochemistry, 54, 2015
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2C14
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![BU of 2c14 by Molmil](/molmil-images/mine/2c14) | 5-(4-Carboxy-2-oxo-butylamino)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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2BGC
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![BU of 2bgc by Molmil](/molmil-images/mine/2bgc) | PrfA-G145S, a constitutive active mutant of the Transcriptional Regulator In L.monocytogenes | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, PRFA | Authors: | Eiting, M, Hagelueken, G, Schubert, W.-D, Heinz, D.W. | Deposit date: | 2004-12-20 | Release date: | 2005-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Mutation G145S in Prfa, a Key Virulence Regulator of Listeria Monocytogenes, Increases DNA-Binding Affinity by Stabilizing the Hth Motif Mol.Microbiol., 56, 2005
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6U4Z
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![BU of 6u4z by Molmil](/molmil-images/mine/6u4z) | |
1GPJ
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![BU of 1gpj by Molmil](/molmil-images/mine/1gpj) | Glutamyl-tRNA Reductase from Methanopyrus kandleri | Descriptor: | (2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-3-FURANOL, CITRIC ACID, GLUTAMIC ACID, ... | Authors: | Moser, J, Schubert, W.-D, Beier, V, Bringemeier, I, Jahn, D, Heinz, D.W. | Deposit date: | 2001-11-05 | Release date: | 2002-01-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | V-shaped structure of glutamyl-tRNA reductase, the first enzyme of tRNA-dependent tetrapyrrole biosynthesis. EMBO J., 20, 2001
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6HS6
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![BU of 6hs6 by Molmil](/molmil-images/mine/6hs6) | C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | Descriptor: | Type VI secretion protein ImpA | Authors: | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | Deposit date: | 2018-09-28 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Structural insights into the function of type VI secretion system TssA subunits. Nat Commun, 9, 2018
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