6RH4
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![BU of 6rh4 by Molmil](/molmil-images/mine/6rh4) | Human Carbonic Anhydrase II in complex with 4-Nitrobenzenesulfonamide. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-nitrobenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-04-18 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.948 Å) | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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8OE6
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![BU of 8oe6 by Molmil](/molmil-images/mine/8oe6) | Structure of hyperstable haloalkane dehalogenase variant DhaA231 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Structure of hyperstable haloalkane dehalogenase variant DhaA231 | Authors: | Marek, M. | Deposit date: | 2023-03-10 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning. Acs Catalysis, 13, 2023
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1R9D
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![BU of 1r9d by Molmil](/molmil-images/mine/1r9d) | Glycerol bound form of the B12-independent glycerol dehydratase from Clostridium butyricum | Descriptor: | GLYCEROL, glycerol dehydratase | Authors: | Lanzilotta, W.N, O'Brien, J.R, Raynaud, C, Soucaille, P. | Deposit date: | 2003-10-28 | Release date: | 2004-06-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insight into the mechanism of the B12-independent glycerol dehydratase from Clostridium butyricum: preliminary biochemical and structural characterization. Biochemistry, 43, 2004
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8OE2
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![BU of 8oe2 by Molmil](/molmil-images/mine/8oe2) | Structure of hyperstable haloalkane dehalogenase variant DhaA223 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Marek, M. | Deposit date: | 2023-03-10 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning. Acs Catalysis, 13, 2023
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1R8W
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![BU of 1r8w by Molmil](/molmil-images/mine/1r8w) | |
8K5T
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![BU of 8k5t by Molmil](/molmil-images/mine/8k5t) | |
8K5S
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![BU of 8k5s by Molmil](/molmil-images/mine/8k5s) | |
1P18
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![BU of 1p18 by Molmil](/molmil-images/mine/1p18) | Hypoxanthine Phosphoribosyltransferase from Trypanosoma cruzi, K68R mutant, ternary substrates complex | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, MAGNESIUM ION, ... | Authors: | Canyuk, B, Eakin, A.E, Craig III, S.P. | Deposit date: | 2003-04-11 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Interactions at the dimer interface influence the relative efficiencies for purine nucleotide synthesis and pyrophosphorolysis in a phosphoribosyltransferase J.Mol.Biol., 335, 2004
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5I4Q
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![BU of 5i4q by Molmil](/molmil-images/mine/5i4q) | Contact-dependent inhibition system from Escherichia coli NC101 - ternary CdiA/CdiI/EF-Tu complex (domains 2 and 3) | Descriptor: | CHLORIDE ION, Contact-dependent inhibitor A, Contact-dependent inhibitor I, ... | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | Deposit date: | 2016-02-12 | Release date: | 2017-06-28 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of a novel antibacterial toxin that exploits elongation factor Tu to cleave specific transfer RNAs. Nucleic Acids Res., 45, 2017
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1RF8
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![BU of 1rf8 by Molmil](/molmil-images/mine/1rf8) | Solution structure of the yeast translation initiation factor eIF4E in complex with m7GDP and eIF4GI residues 393 to 490 | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic initiation factor 4F subunit p150, Eukaryotic translation initiation factor 4E, ... | Authors: | Gross, J.D, Moerke, N.J, von der Haar, T, Lugovskoy, A.A, Sachs, A.B, McCarthy, J.E.G, Wagner, G. | Deposit date: | 2003-11-07 | Release date: | 2003-12-23 | Last modified: | 2024-03-06 | Method: | SOLUTION NMR | Cite: | Ribosome loading onto the mRNA cap is driven by conformational coupling between eIF4G and eIF4E. Cell(Cambridge,Mass.), 115, 2003
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3RSZ
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![BU of 3rsz by Molmil](/molmil-images/mine/3rsz) | Maltodextran bound basal state conformation of yeast glycogen synthase isoform 2 | Descriptor: | Glycogen [starch] synthase isoform 2, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Baskaran, S, Hurley, T.D. | Deposit date: | 2011-05-02 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.009 Å) | Cite: | Multiple Glycogen-binding Sites in Eukaryotic Glycogen Synthase Are Required for High Catalytic Efficiency toward Glycogen. J.Biol.Chem., 286, 2011
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4GS7
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![BU of 4gs7 by Molmil](/molmil-images/mine/4gs7) | Structure of the Interleukin-15 quaternary complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ring, A.M, Ozkan, E, Feng, D, Garcia, K.C. | Deposit date: | 2012-08-27 | Release date: | 2012-11-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mechanistic and structural insight into the functional dichotomy between IL-2 and IL-15. Nat.Immunol., 13, 2012
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6MB5
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![BU of 6mb5 by Molmil](/molmil-images/mine/6mb5) | AAC-IIIb binary with NEOMYCIN | Descriptor: | Aac(3)-IIIb protein, NEOMYCIN | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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1MXH
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![BU of 1mxh by Molmil](/molmil-images/mine/1mxh) | Crystal Structure of Substrate Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi | Descriptor: | DIHYDROFOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2 | Authors: | Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D. | Deposit date: | 2002-10-02 | Release date: | 2003-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor. J.Struct.Biol., 152, 2005
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1FJ0
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6SD7
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![BU of 6sd7 by Molmil](/molmil-images/mine/6sd7) | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide and its dimer | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide, 2,3,4,5,6-pentafluorobenzenesulfonamide, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-26 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6SCH
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![BU of 6sch by Molmil](/molmil-images/mine/6sch) | NADH-dependent variant of CBADH | Descriptor: | MAGNESIUM ION, NADP-dependent isopropanol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Selles Vidal, L, Murray, J.W, Heap, J.T. | Deposit date: | 2019-07-24 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Versatile selective evolutionary pressure using synthetic defect in universal metabolism. Nat Commun, 12, 2021
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4E3T
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6K4K
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![BU of 6k4k by Molmil](/molmil-images/mine/6k4k) | |
6K4R
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3TEH
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![BU of 3teh by Molmil](/molmil-images/mine/3teh) | Crystal structure of Thermus thermophilus Phenylalanyl-tRNA synthetase complexed with L-dopa | Descriptor: | 3,4-DIHYDROXYPHENYLALANINE, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain | Authors: | Safro, M, Klipcan, L, Moor, N. | Deposit date: | 2011-08-14 | Release date: | 2011-11-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8524 Å) | Cite: | Bacterial and Eukaryotic Phenylalanyl-tRNA Synthetases Catalyze Misaminoacylation of tRNA(Phe) with 3,4-Dihydroxy-L-Phenylalanine. Chem.Biol., 18, 2011
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5TOV
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6M7W
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3GST
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![BU of 3gst by Molmil](/molmil-images/mine/3gst) | STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, GLUTATHIONE S-TRANSFERASE, SULFATE ION | Authors: | Ji, X, Ammon, H.L, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1993-06-07 | Release date: | 1993-10-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers of 9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene. Biochemistry, 33, 1994
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5G1N
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![BU of 5g1n by Molmil](/molmil-images/mine/5g1n) | Aspartate transcarbamoylase domain of human CAD bound to PALA | Descriptor: | 1,2-ETHANEDIOL, CAD PROTEIN, N-(PHOSPHONACETYL)-L-ASPARTIC ACID | Authors: | Ruiz-Ramos, A, Grande-Garcia, A, Moreno-Morcillo, M.D, Ramon-Maiques, S. | Deposit date: | 2016-03-29 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Functional Characterization of Human Aspartate Transcarbamoylase, the Target of the Anti-Tumoral Drug Pala. Structure, 24, 2016
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