3KUM
 
 | | Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Arg-L-Tyr | | Descriptor: | ARGININE, Dipeptide Epimerase, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-11-27 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2WOI
 | | Trypanothione reductase from Trypanosoma brucei | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ... | | Authors: | Alphey, M.S, Fairlamb, A.H. | | Deposit date: | 2009-07-24 | | Release date: | 2010-08-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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6GRL
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5ZJF
 | | LDHA-MA | | Descriptor: | 5,5'-[(2R,3S)-2,3-dimethylbutane-1,4-diyl]bis(2H-1,3-benzodioxole), L-lactate dehydrogenase A chain | | Authors: | Han, C.W, Jang, S.B. | | Deposit date: | 2018-03-20 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
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6H3B
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6C49
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5ZKZ
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7Y51
 | | Acetylxylan esterase from Caldanaerobacter subterraneus subsp. tengcongensis TTE0866 delta100 mutant | | Descriptor: | GLYCEROL, NICKEL (II) ION, Predicted xylanase/chitin deacetylase | | Authors: | Sasamoto, K, Himiyama, T, Moriyoshi, K, Ohmoto, T, Uegaki, K, Nakamura, T, Nishiya, Y. | | Deposit date: | 2022-06-16 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Functional analysis of the N-terminal region of acetylxylan esterase from Caldanaerobacter subterraneus subsp. tengcongensis.
Febs Open Bio, 12, 2022
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4PEM
 | | Crystal Structure of S1G mutant of Penicillin G Acylase from Kluyvera citrophila | | Descriptor: | CALCIUM ION, Penicillin G acylase Alpha, Penicillin G acylase Beta | | Authors: | Ramasamy, S, Varshney, N.K, Brannigan, J.A, Wilkinson, A.J, Suresh, C.G. | | Deposit date: | 2014-04-24 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of S1G mutant of Penicillin G Acylase from Kluyvera citrophilla
To be Published
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3GXD
 | | Crystal structure of Apo acid-beta-glucosidase pH 4.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION | | Authors: | Lieberman, R.L. | | Deposit date: | 2009-04-02 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
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5ZNS
 | | Insect chitin deacetylase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, ... | | Authors: | Liu, L, Zhou, Y, Yang, Q. | | Deposit date: | 2018-04-10 | | Release date: | 2019-02-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
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4PEW
 | | Structure of sacteLam55A from Streptomyces sp. SirexAA-E | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Putative secreted protein | | Authors: | Bianchetti, C.M, Takasuka, T.E, Bergeman, L.F, Fox, B.G. | | Deposit date: | 2014-04-25 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
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6C7K
 | | Crystal structure of an ACO/RPE65 chimera | | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION | | Authors: | Kiser, P.D, Shi, W. | | Deposit date: | 2018-01-22 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the pathogenesis of dominant retinitis pigmentosa associated with a D477G mutation in RPE65.
Hum.Mol.Genet., 27, 2018
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2WJ4
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5ZOF
 | | Crystal Structure of D181A/R192F hFen1 in complex with DNA | | Descriptor: | DNA (5'-D(*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ... | | Authors: | Han, W, Hua, Y, Zhao, Y. | | Deposit date: | 2018-04-13 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
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2JBV
 | | Crystal structure of choline oxidase reveals insights into the catalytic mechanism | | Descriptor: | CHOLINE OXIDASE, DIMETHYL SULFOXIDE, UNKNOWN ATOM OR ION, ... | | Authors: | Lountos, G.T, Fan, F, Gadda, G, Orville, A.M. | | Deposit date: | 2006-12-13 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Role of Glu312 in Binding and Positioning of the Substrate for the Hydride Transfer Reaction in Choline Oxidase.
Biochemistry, 47, 2008
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2JIF
 | | Structure of human short-branched chain acyl-CoA dehydrogenase (ACADSB) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A PERSULFIDE, ... | | Authors: | Pike, A.C.W, Hozjan, V, Smee, C, Niesen, F.H, Kavanagh, K.L, Umeano, C, Turnbull, A.P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Oppermann, U. | | Deposit date: | 2007-02-28 | | Release date: | 2007-04-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase
To be Published
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6GUR
 | | Siderophore hydrolase EstB from Aspergillus fumigatus in complex with TAFC | | Descriptor: | (~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide, CARBONATE ION, FE (III) ION, ... | | Authors: | Ecker, F, Haas, H, Groll, M, Huber, E.M. | | Deposit date: | 2018-06-19 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
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4NMM
 | | Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor | | Descriptor: | 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, GTPase KRas, MAGNESIUM ION | | Authors: | Hunter, J.C, Gurbani, D, Lim, S.M, Westover, K.D. | | Deposit date: | 2013-11-15 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4NDH
 | | Human Aprataxin (Aptx) bound to DNA, AMP, and Zn - product complex | | Descriptor: | 5'-D(P*GP*TP*TP*CP*TP*AP*GP*AP*AP*C)-3', ADENOSINE MONOPHOSPHATE, Aprataxin, ... | | Authors: | Schellenberg, M.J, Tumbale, P.S, Williams, R.S. | | Deposit date: | 2013-10-26 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Aprataxin resolves adenylated RNA-DNA junctions to maintain genome integrity.
Nature, 506, 2013
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2H1S
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4PLV
 | | Crystal structure of ancestral apicomplexan malate dehydrogenase with lactate. | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, malate dehydrogenase | | Authors: | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | | Deposit date: | 2014-05-19 | | Release date: | 2014-07-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
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3G7M
 | | Structure of the thaumatin-like xylanase inhibitor TLXI | | Descriptor: | GLYCEROL, SODIUM ION, Xylanase inhibitor TL-XI | | Authors: | Vandermarliere, E, Courtin, C.M, Lammens, W, Schoepe, J, Strelkov, S.V. | | Deposit date: | 2009-02-10 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal structure of the noncompetitive xylanase inhibitor TLXI, member of the small thaumatin-like protein family.
Proteins, 78, 2010
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5W58
 | | Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | | Descriptor: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | | Deposit date: | 2017-06-14 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.267 Å) | | Cite: | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
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6BS6
 | | SusG with mixed linkage amylosaccharide | | Descriptor: | ACETATE ION, Alpha-amylase SusG, CALCIUM ION, ... | | Authors: | Koropatkin, N.M, Cockburn, D.W. | | Deposit date: | 2017-12-01 | | Release date: | 2018-01-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural basis for the flexible recognition of alpha-glucan substrates by Bacteroides thetaiotaomicron SusG.
Protein Sci., 27, 2018
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