6U6A
 
 | | Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A | | Descriptor: | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-29 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2.
Cell Chem Biol, 27, 2020
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4WZ2
 | | Crystal structure of U-box 2 of LubX / LegU2 / Lpp2887 from Legionella pneumophila str. Paris, Ile175Met mutant | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase LubX, HEXANE-1,6-DIOL | | Authors: | Stogios, P.J, Qualie, A.T, Skarina, T, Nocek, B, Di Leo, R, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-11-18 | | Release date: | 2015-01-28 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.408 Å) | | Cite: | Molecular Characterization of LubX: Functional Divergence of the U-Box Fold by Legionella pneumophila.
Structure, 23, 2015
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4WZ3
 | | Crystal structure of the complex between LubX/LegU2/Lpp2887 U-box 1 and Homo sapiens UBE2D2 | | Descriptor: | E3 ubiquitin-protein ligase LubX, Ubiquitin-conjugating enzyme E2 D2 | | Authors: | Stogios, P.J, Quaile, A.T, Skarina, T, Nocek, B, Di Leo, R, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-11-18 | | Release date: | 2015-01-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Characterization of LubX: Functional Divergence of the U-Box Fold by Legionella pneumophila.
Structure, 23, 2015
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4WZ0
 | | Crystal structure of U-box 1 of LubX / LegU2 / Lpp2887 from Legionella pneumophila str. Paris | | Descriptor: | E3 ubiquitin-protein ligase LubX | | Authors: | Stogios, P.J, Quaile, A.T, Skarina, T, Stein, A, Di Leo, R, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-11-18 | | Release date: | 2015-01-14 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Molecular Characterization of LubX: Functional Divergence of the U-Box Fold by Legionella pneumophila.
Structure, 23, 2015
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5HT0
 | | Crystal structure of an Antibiotic_NAT family aminoglycoside acetyltransferase HMB0038 from an uncultured soil metagenomic sample in complex with coenzyme A | | Descriptor: | Aminoglycoside acetyltransferase HMB0005, COENZYME A, SULFATE ION | | Authors: | Xu, Z, Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-26 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.752 Å) | | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
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4MPH
 | | Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-bound | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase family protein, ... | | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Skarina, T, Shatsman, S, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-12 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.0301 Å) | | Cite: | Structure of the LdcB LD-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition.
Structure, 22, 2014
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4MUT
 | | Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Alanine | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ... | | Authors: | Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-23 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7ROA
 | | Crystal structure of EntV136 from Enterococcus faecalis | | Descriptor: | EntV | | Authors: | Stogios, P.J, Evdokimova, E, Kim, Y, Garsin, D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2021-07-30 | | Release date: | 2022-10-12 | | Last modified: | 2023-01-25 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural and functional analysis of EntV reveals a 12 amino acid fragment protective against fungal infections.
Nat Commun, 13, 2022
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6P2K
 | | Crystal structure of AFV00434, an ancestral GH74 enzyme | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A. | | Deposit date: | 2019-05-21 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
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6P2M
 | | Crystal structure of the Caldicellulosiruptor lactoaceticus GH74 (ClGH74a) enzyme in complex with LLG xyloglucan | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, GLYCEROL, ... | | Authors: | Stogios, P.J, Skarina, T, Arnal, G. | | Deposit date: | 2019-05-21 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
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6P2O
 | | Crystal structure of Streptomyces rapamycinicus GH74 in complex with xyloglucan fragments XLLG and XXXG | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A. | | Deposit date: | 2019-05-21 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
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6P2L
 | | Crystal structure of Niastella koreensis GH74 (NkGH74) enzyme | | Descriptor: | CHLORIDE ION, Glycosyl hydrolase BNR repeat-containing protein, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A. | | Deposit date: | 2019-05-21 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
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6P2N
 | | Crystal structure of Paenibacillus graminis GH74 (PgGH74) | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Stogios, P.J. | | Deposit date: | 2019-05-21 | | Release date: | 2019-07-31 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
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3M8V
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7TQ1
 | | Crystal structure of adaptive laboratory evolved sulfonamide-resistant Dihydropteroate Synthase (DHPS) from Escherichia coli in complex with 6-hydroxymethylpterin | | Descriptor: | 6-HYDROXYMETHYLPTERIN, Dihydropteroate synthase | | Authors: | Stogios, P.J, Skarina, T, Tan, K, Venkatesan, M, Fruci, M, Joachimiak, A, Savchenko, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-26 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
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7UUM
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with paromomycin and coenzyme A | | Descriptor: | Aminocyclitol acetyltransferase ApmA, COENZYME A, GLYCEROL, ... | | Authors: | Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-04-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
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7UUL
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with kanamycin B and coenzyme A | | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, ... | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-04-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
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7UUO
 | | Crystal structure of aminoglycoside resistance enzyme ApmA H135A mutant, complex with tobramycin and coenzyme A | | Descriptor: | 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, COENZYME A, ... | | Authors: | Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-04-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
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7UUN
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with neomycin | | Descriptor: | 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, NEOMYCIN | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Osipiuk, J, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-04-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
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4I3F
 | | Crystal structure of serine hydrolase CCSP0084 from the polyaromatic hydrocarbon (PAH)-degrading bacterium Cycloclasticus zankles | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | Authors: | Stogios, P.J, Xu, X, Dong, A, Cui, H, Alcaide, M, Tornes, J, Gertler, C, Yakimov, M.M, Golyshin, P.N, Ferrer, M, Savchenko, A. | | Deposit date: | 2012-11-26 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Single residues dictate the co-evolution of dual esterases: MCP hydrolases from the alpha / beta hydrolase family.
Biochem.J., 454, 2013
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3PFC
 | | Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with ferulic acid | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A. | | Deposit date: | 2010-10-28 | | Release date: | 2011-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
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3PF9
 | | Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant | | Descriptor: | Cinnamoyl esterase, SODIUM ION | | Authors: | Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A. | | Deposit date: | 2010-10-28 | | Release date: | 2011-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
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3PF8
 | | Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 | | Descriptor: | Cinnamoyl esterase, SODIUM ION | | Authors: | Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A. | | Deposit date: | 2010-10-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
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3PFB
 | | Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with ethylferulate | | Descriptor: | AMMONIUM ION, CHLORIDE ION, Cinnamoyl esterase, ... | | Authors: | Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A. | | Deposit date: | 2010-10-28 | | Release date: | 2011-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
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6MGL
 | | Crystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, D60A mutant in complex with XXLG and XGXXLG xyloglucan | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Skarina, T, Arnal, G, Watanabe, N, Brumer, H, Savchenko, A. | | Deposit date: | 2018-09-14 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural enzymology reveals the molecular basis of substrate regiospecificity and processivity of an exemplar bacterial glycoside hydrolase family 74endo-xyloglucanase.
Biochem. J., 475, 2018
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