2CF9
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![BU of 2cf9 by Molmil](/molmil-images/mine/2cf9) | Complex of recombinant human thrombin with an inhibitor | Descriptor: | 4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | Authors: | Schweizer, E, Hoffmann-Roeder, A, Olsen, J.A, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F. | Deposit date: | 2006-02-17 | Release date: | 2006-06-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Multipolar Interactions in the D Pocket of Thrombin: Large Differences between Tricyclic Imide and Lactam Inhibitors. Org.Biomol.Chem., 4, 2006
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5AH2
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![BU of 5ah2 by Molmil](/molmil-images/mine/5ah2) | The sliding clamp of Mycobacterium smegmatis in complex with a natural product. | Descriptor: | DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-04 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.129 Å) | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
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6IFM
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![BU of 6ifm by Molmil](/molmil-images/mine/6ifm) | Crystal structure of DNA bound VapBC from Salmonella typhimurium | Descriptor: | Antitoxin VapB, DNA backward (27-MER), DNA forward (27-MER), ... | Authors: | Park, D.W, Lee, B.J. | Deposit date: | 2018-09-20 | Release date: | 2020-01-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Crystal structure of proteolyzed VapBC and DNA-bound VapBC from Salmonella enterica Typhimurium LT2 and VapC as a putative Ca2+-dependent ribonuclease. Faseb J., 34, 2020
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5WDK
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![BU of 5wdk by Molmil](/molmil-images/mine/5wdk) | A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis | Descriptor: | 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide, Aminopeptidase C, POTASSIUM ION | Authors: | Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J. | Deposit date: | 2017-07-05 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro. Acs Chem.Biol., 13, 2018
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2CFO
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![BU of 2cfo by Molmil](/molmil-images/mine/2cfo) | Non-Discriminating Glutamyl-tRNA Synthetase from Thermosynechococcus elongatus in Complex with Glu | Descriptor: | GLUTAMIC ACID, GLUTAMYL-TRNA SYNTHETASE | Authors: | Schulze, J.O, Nickel, D, Schubert, W.-D, Jahn, D, Heinz, D.W. | Deposit date: | 2006-02-22 | Release date: | 2006-08-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of a Non-Discriminating Glutamyl- tRNA Synthetase. J.Mol.Biol., 361, 2006
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6UO3
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![BU of 6uo3 by Molmil](/molmil-images/mine/6uo3) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) complexed with AR-42 | Descriptor: | 1,2-ETHANEDIOL, AR-42, HDAC6, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-10-14 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.09000123 Å) | Cite: | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6. Biochemistry, 58, 2019
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6UO2
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1GLB
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![BU of 1glb by Molmil](/molmil-images/mine/1glb) | STRUCTURE OF THE REGULATORY COMPLEX OF ESCHERICHIA COLI IIIGLC WITH GLYCEROL KINASE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLUCOSE-SPECIFIC PROTEIN IIIGlc, GLYCEROL, ... | Authors: | Hurley, J.H, Worthylake, D, Faber, H.R, Meadow, N.D, Roseman, S, Pettigrew, D.W, Remington, S.J. | Deposit date: | 1992-10-28 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the regulatory complex of Escherichia coli IIIGlc with glycerol kinase. Science, 259, 1993
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5THV
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![BU of 5thv by Molmil](/molmil-images/mine/5thv) | Crystal Structure of G305A HDAC8 in complex with M344 | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... | Authors: | Porter, N.J, Christianson, D.W. | Deposit date: | 2016-09-30 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.868 Å) | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry, 55, 2016
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6UIM
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1GJU
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![BU of 1gju by Molmil](/molmil-images/mine/1gju) | Maltosyltransferase from Thermotoga maritima | Descriptor: | MALTODEXTRIN GLYCOSYLTRANSFERASE, PHOSPHATE ION | Authors: | Roujeinikova, A, Raasch, C, Burke, J, Baker, P.J, Liebl, W, Rice, D.W. | Deposit date: | 2001-08-02 | Release date: | 2001-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structure of Thermotoga Maritima Maltosyltransferase and its Implications for the Molecular Basis of the Novel Transfer Specificity J.Mol.Biol., 312, 2001
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6UO5
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![BU of 6uo5 by Molmil](/molmil-images/mine/6uo5) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) Y363F mutant complexed with AR-42 | Descriptor: | 1,2-ETHANEDIOL, AR-42, Histone deacetylase 6, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-10-14 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43934226 Å) | Cite: | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6. Biochemistry, 58, 2019
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2CDB
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![BU of 2cdb by Molmil](/molmil-images/mine/2cdb) | Sulfolobus solfataricus Glucose Dehydrogenase 1 in complex with NADP and glucose | Descriptor: | 1,2-ETHANEDIOL, GLUCOSE 1-DEHYDROGENASE (DHG-1), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Milburn, C.C, Lamble, H.J, Theodossis, A, Hough, D.W, Danson, M.J, Taylor, G.L. | Deposit date: | 2006-01-23 | Release date: | 2006-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structural Basis of Substrate Promiscuity in Glucose Dehydrogenase from the Hyperthermophilic Archaeon Sulfolobus Solfataricus. J.Biol.Chem., 281, 2006
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1GLL
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![BU of 1gll by Molmil](/molmil-images/mine/1gll) | ESCHERICHIA COLI GLYCEROL KINASE MUTANT WITH BOUND ATP ANALOG SHOWING SUBSTANTIAL DOMAIN MOTION | Descriptor: | GLYCEROL, GLYCEROL KINASE, MAGNESIUM ION, ... | Authors: | Bystrom, C.E, Pettigrew, D.W, Branchaud, B.P, Remington, S.J. | Deposit date: | 1998-09-24 | Release date: | 1999-05-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of Escherichia coli glycerol kinase variant S58-->W in complex with nonhydrolyzable ATP analogues reveal a putative active conformation of the enzyme as a result of domain motion. Biochemistry, 38, 1999
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4ZUN
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![BU of 4zun by Molmil](/molmil-images/mine/4zun) | Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a thiol inhibitor | Descriptor: | 5-[(3-aminopropyl)amino]pentane-1-thiol, 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 (1.4 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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5WGI
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2CDC
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![BU of 2cdc by Molmil](/molmil-images/mine/2cdc) | Sulfolobus solfataricus Glucose Dehydrogenase 1 in complex with NADP and Xylose | Descriptor: | 1,2-ETHANEDIOL, GLUCOSE DEHYDROGENASE GLUCOSE 1-DEHYDROGENASE, DHG-1, ... | Authors: | Milburn, C.C, Lamble, H.J, Theodossis, A, Hough, D.W, Danson, M.J, Taylor, G.L. | Deposit date: | 2006-01-23 | Release date: | 2006-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The structural basis of substrate promiscuity in glucose dehydrogenase from the hyperthermophilic archaeon Sulfolobus solfataricus. J. Biol. Chem., 281, 2006
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4YEC
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1ZD5
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![BU of 1zd5 by Molmil](/molmil-images/mine/1zd5) | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-heptanoic acid complex | Descriptor: | 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC 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 (2.6 Å) | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids Protein Sci., 15, 2006
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1YYS
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![BU of 1yys by Molmil](/molmil-images/mine/1yys) | Y305F Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4S)-7-azabisabolene | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | Deposit date: | 2005-02-25 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry, 44, 2005
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5WDL
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![BU of 5wdl by Molmil](/molmil-images/mine/5wdl) | A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis | Descriptor: | Aminopeptidase C, N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide, POTASSIUM ION | Authors: | Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J. | Deposit date: | 2017-07-05 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.625 Å) | Cite: | A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro. Acs Chem.Biol., 13, 2018
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1Z3R
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![BU of 1z3r by Molmil](/molmil-images/mine/1z3r) | Solution structure of the Omsk Hemhorraghic Fever Envelope Protein Domain III | Descriptor: | polyprotein | Authors: | Volk, D.E, Chavez, L, Beasley, D.W, Barrett, A.D, Gorenstein, D.G. | Deposit date: | 2005-03-14 | Release date: | 2006-03-14 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structure of the envelope protein domain III of Omsk hemorrhagic fever virus. Virology, 351, 2006
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1IF5
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1IF8
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![BU of 1if8 by Molmil](/molmil-images/mine/1if8) | Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide | Descriptor: | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | Deposit date: | 2001-04-12 | Release date: | 2001-05-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme. Proc.Natl.Acad.Sci.USA, 99, 2002
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1ZNC
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![BU of 1znc by Molmil](/molmil-images/mine/1znc) | HUMAN CARBONIC ANHYDRASE IV | Descriptor: | CARBONIC ANHYDRASE IV, SULFATE ION, ZINC ION | Authors: | Stams, T, Christianson, D.W. | Deposit date: | 1996-09-17 | Release date: | 1997-09-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the secretory form of membrane-associated human carbonic anhydrase IV at 2.8-A resolution. Proc.Natl.Acad.Sci.USA, 93, 1996
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