4EQR
 
 | | Crystal structure of the Y361F mutant of Staphylococcus aureus CoADR | | Descriptor: | CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... | | Authors: | Wallace, B.D, Edwards, J.S, Wallen, J.R, Claiborne, A, Redinbo, M.R. | | Deposit date: | 2012-04-19 | | Release date: | 2012-10-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
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4EM3
 | | Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor MeVS-CoA | | Descriptor: | CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Wallace, B.D, Edwards, J.S, Claiborne, A, Redinbo, M.R. | | Deposit date: | 2012-04-11 | | Release date: | 2012-10-17 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
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6CXS
 | | Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine | | Descriptor: | 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine, Beta-glucuronidase, Maltose/maltodextrin-binding periplasmic protein | | Authors: | Wallace, B.D, Redinbo, M.R. | | Deposit date: | 2018-04-04 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Targeted inhibition of gut bacterial beta-glucuronidase activity enhances anticancer drug efficacy.
Proc.Natl.Acad.Sci.USA, 2020
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4EQS
 | | Crystal structure of the Y419F mutant of Staphylococcus aureus CoADR | | Descriptor: | CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... | | Authors: | Wallace, B.D, Edwards, J.S, Wallen, J.R, Claiborne, A, Redinbo, M.R. | | Deposit date: | 2012-04-19 | | Release date: | 2012-10-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
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3K4D
 | | Crystal structure of E. coli beta-glucuronidase with the glucaro-d-lactam inhibitor bound | | Descriptor: | (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid, Beta-glucuronidase | | Authors: | Wallace, B.D, Redinbo, M.R. | | Deposit date: | 2009-10-05 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
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4EM4
 | | Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor Pethyl-VS-CoA | | Descriptor: | CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Wallace, B.D, Edwards, J.S, Claiborne, A, Redinbo, M.R. | | Deposit date: | 2012-04-11 | | Release date: | 2012-10-17 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.821 Å) | | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
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5U6Z
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1C4D
 | | GRAMICIDIN CSCL COMPLEX | | Descriptor: | CESIUM ION, CHLORIDE ION, GRAMICIDIN A, ... | | Authors: | Wallace, B.A. | | Deposit date: | 1999-06-04 | | Release date: | 2000-01-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Gramicidin Pore: Crystal Structure of a Cesium Complex.
Science, 241, 1988
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1EPP
 | | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA) | | Descriptor: | ENDOTHIAPEPSIN, N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide, SULFATE ION | | Authors: | Wallace, B.A, Cooper, J.B, Blundell, T.L. | | Deposit date: | 1994-07-27 | | Release date: | 1994-12-20 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
J.Med.Chem., 36, 1993
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4JKM
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4JXG
 | | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Oxacillin | | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Beta-lactamase, PHOSPHATE ION, ... | | Authors: | Wallar, B.J, Powers, R.A, Docter, B.E. | | Deposit date: | 2013-03-28 | | Release date: | 2014-10-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Complexed structures of AmpC beta-lactamase
To be Published
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4JKL
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4JKK
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4J5X
 | | Crystal Structure of the SR12813-bound PXR/RXRalpha LBD Heterotetramer Complex | | Descriptor: | Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, Retinoic acid receptor RXR-alpha, ... | | Authors: | Wallace, B.D, Betts, L, Redinbo, M.R. | | Deposit date: | 2013-02-10 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and Functional Analysis of the Human Nuclear Xenobiotic Receptor PXR in Complex with RXRalpha.
J.Mol.Biol., 425, 2013
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4J5W
 | | Crystal Structure of the apo-PXR/RXRalpha LBD Heterotetramer Complex | | Descriptor: | MAGNESIUM ION, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, ... | | Authors: | Wallace, B.D, Betts, L, Redinbo, M.R. | | Deposit date: | 2013-02-10 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and Functional Analysis of the Human Nuclear Xenobiotic Receptor PXR in Complex with RXRalpha.
J.Mol.Biol., 425, 2013
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3MBO
 | | Crystal Structure of the Glycosyltransferase BaBshA bound with UDP and L-malate | | Descriptor: | D-MALATE, GLYCEROL, Glycosyltransferase, ... | | Authors: | Wallace, B.D, Claiborne, A, Redinbo, M.R. | | Deposit date: | 2010-03-25 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.307 Å) | | Cite: | Characterization of the N-Acetyl-alpha-d-glucosaminyl
l-Malate Synthase and Deacetylase Functions for Bacillithiol Biosynthesis
in Bacillus anthracis
Biochemistry, 49, 2010
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3LPF
 | | Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 1-((6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea | | Descriptor: | 1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea, Beta-glucuronidase | | Authors: | Wallace, B.D, Redinbo, M.R. | | Deposit date: | 2010-02-05 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
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3LPG
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3K4A
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3K46
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1EDN
 | | HUMAN ENDOTHELIN-1 | | Descriptor: | ENDOTHELIN-1 | | Authors: | Wallace, B.A, Janes, R.W. | | Deposit date: | 1994-09-19 | | Release date: | 1995-10-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | The crystal structure of human endothelin.
Nat.Struct.Biol., 1, 1994
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7P36
 | | X-ray structure of Lactobacillus kefir alcohol dehydrogenase (wild type) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D. | | Deposit date: | 2021-07-07 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Transfer of a Rational Crystal Contact Engineering Strategy between Diverse Alcohol Dehydrogenases
Crystals, 11, 2021
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7P7Y
 | | X-ray structure of Lactobacillus kefir alcohol dehydrogenase mutant Q126K | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D. | | Deposit date: | 2021-07-21 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Transfer of a Rational Crystal Contact Engineering Strategy between Diverse Alcohol Dehydrogenases
Crystals, 11, 2021
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4NDB
 | | X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium-signalling protein | | Descriptor: | CALCIUM ION, Calexcitin | | Authors: | Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. | | Deposit date: | 2013-10-25 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
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5W13
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