Author results

1YT4
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CRYSTAL STRUCTURE OF TEM-76 BETA-LACTAMASE AT 1.4 ANGSTROM RESOLUTION
Descriptor:Beta-lactamase TEM
Authors:Thomas, V.L., Golemi-Kotra, D., Kim, C., Vakulenko, S.B., Mobashery, S., Shoichet, B.K.
Deposit date:2005-02-09
Release date:2005-07-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Consequences of the Inhibitor-Resistant Ser130Gly Substitution in TEM beta-Lactamase.
Biochemistry, 44, 2005
3HAM
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STRUCTURE OF THE GENTAMICIN-APH(2")-IIA COMPLEX
Descriptor:Aminoglycoside phosphotransferase, (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, GLYCEROL
Authors:Young, P.G., Baker, E.N., Vakulenko, S.B., Smith, C.A.
Deposit date:2009-05-02
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structures of substrate and nucleotide complexes of Enterococcus faecium aminoglycoside-2''-phosphotransferase-IIa [APH(2'')-IIa] provide insights into substrate selectivity in the APH(2'') subfamily.
J.Bacteriol., 191, 2009
3HAV
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STRUCTURE OF THE STREPTOMYCIN-ATP-APH(2")-IIA TERNARY COMPLEX
Descriptor:Aminoglycoside phosphotransferase, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Young, P.G., Baker, E.N., Vakulenko, S.B., Smith, C.A.
Deposit date:2009-05-02
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The crystal structures of substrate and nucleotide complexes of Enterococcus faecium aminoglycoside-2''-phosphotransferase-IIa [APH(2'')-IIa] provide insights into substrate selectivity in the APH(2'') subfamily.
J.Bacteriol., 191, 2009
3N4T
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APO APH(2")-IVA FORM I
Descriptor:APH(2'')-Id
Authors:Smith, C.A., Toth, M., Frase, H., Vakulenko, S.B.
Deposit date:2010-05-22
Release date:2010-06-30
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and kinetic mechanism of aminoglycoside phosphotransferase-2''-IVa.
Protein Sci., 19, 2010
3N4U
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APP APH(2")-IVA FORM II
Descriptor:APH(2'')-Id
Authors:Smith, C.A., Toth, M., Frase, H., Vakulenko, S.B.
Deposit date:2010-05-22
Release date:2010-06-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and kinetic mechanism of aminoglycoside phosphotransferase-2''-IVa.
Protein Sci., 19, 2010
3N4V
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APO APH(2")-IVA FORM III
Descriptor:APH(2'')-Id
Authors:Smith, C.A., Toth, M., Frase, H., Vakulenko, S.B.
Deposit date:2010-05-22
Release date:2010-06-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and kinetic mechanism of aminoglycoside phosphotransferase-2''-IVa.
Protein Sci., 19, 2010
3NI9
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GES-2 CARBAPENEMASE APO FORM
Descriptor:Beta-lactamase GES-2, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Frase, H., Smith, C.A., Toth, M., Vakulenko, S.B.
Deposit date:2010-06-15
Release date:2011-02-23
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and structural requirements for carbapenemase activity in GES-type beta-lactamases.
Biochemistry, 54, 2015
3NIA
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GES-2 CARBAPENEMASE TAZOBACTAM COMPLEX
Descriptor:Beta-lactamase GES-2, TAZOBACTAM INTERMEDIATE, (3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine
Authors:Frase, H., Smith, C.A., Toth, M., Vakulenko, S.B.
Deposit date:2010-06-15
Release date:2011-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition of the GES-2 beta-Lactamse by Tazobactam: Detection of Reaction Intermediates by UV and Mass Spectrometry and X-Ray Crystallography
To be Published
3TDV
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STRUCTURE OF THE GDP COMPLEX OF WILD-TYPE AMINOGLYCOSIDE 2'-PHOSPHOTRANSFERASE-IIIA
Descriptor:Gentamicin resistance protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2011-08-11
Release date:2012-03-07
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminoglycoside-2' phosphotransferase-IIIa (APH(2')-IIIa) prefers GTP over ATP: Structural templates for nucleotide recognition in the bacterial aminoglycoside-2' kinases.
J.Biol.Chem., 287, 2012
3TDW
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THE GDP COMPLEX OF THE AMINOGLYCOSIDE 2'-PHOSPHOTRANSFERE-IIIA F108L MUTANT
Descriptor:Gentamicin resistance protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2011-08-11
Release date:2012-03-07
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Aminoglycoside 2''-Phosphotransferase IIIa (APH(2'')-IIIa) Prefers GTP over ATP: STRUCTURAL TEMPLATES FOR NUCLEOTIDE RECOGNITION IN THE BACTERIAL AMINOGLYCOSIDE-2'' KINASES.
J.Biol.Chem., 287, 2012
4GNU
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CRYSTAL STRUCTURE OF GES-5 CARBAPENEMASE
Descriptor:Beta-lactamase GES-5, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2012-08-17
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4GOG
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CRYSTAL STRUCTURE OF THE GES-1 IMIPENEM ACYL-ENZYME COMPLEX
Descriptor:Beta-lactamase GES-1, (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, IODIDE ION, ...
Authors:Smith, C.A., Vakulenko, S.B., Munoz, J.
Deposit date:2012-08-20
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4H8R
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IMIPENEM COMPLEX OF GES-5 CARBAPENEMASE
Descriptor:Extended-spectrum beta-lactamase GES-5, (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, IODIDE ION, ...
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2012-09-23
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4JF4
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OXA-23 MEROPENEM COMPLEX
Descriptor:Beta-lactamase, 1,2-ETHANEDIOL, (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
Authors:Smith, C.A., Vakulenko, S.B., Toth, M.
Deposit date:2013-02-27
Release date:2013-09-25
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
4JF5
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STRUCTURE OF OXA-23 AT PH 4.1
Descriptor:Beta-lactamase, CITRATE ANION, 1,2-ETHANEDIOL
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2013-02-27
Release date:2013-09-25
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
4JF6
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STRUCTURE OF OXA-23 AT PH 7.0
Descriptor:Beta-lactamase, POTASSIUM ION, CHLORIDE ION, ...
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2013-02-27
Release date:2013-09-25
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
4NET
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CRYSTAL STRUCTURE OF ADC-1 BETA-LACTAMASE
Descriptor:AmpC, NITRATE ION, GLYCEROL
Authors:Bhattacharya, M., Toth, M., Antunes, N.T., Smith, C.A., Vakulenko, S.B.
Deposit date:2013-10-30
Release date:2014-03-12
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of the extended-spectrum class C beta-lactamase ADC-1 from Acinetobacter baumannii.
Acta Crystallogr.,Sect.D, 70, 2014
4OH0
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CRYSTAL STRUCTURE OF OXA-58 CARBAPENEMASE
Descriptor:Beta-lactamase OXA-58, CHLORIDE ION
Authors:Smith, C.A., Antunes, N.T., Toth, M., Vakulenko, S.B.
Deposit date:2014-01-16
Release date:2014-02-26
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Carbapenemase OXA-58 from Acinetobacter baumannii.
Antimicrob.Agents Chemother., 58, 2014
4ORK
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CRYSTAL STRUCTURE OF THE PHOSPHOTRANSFERASE DOMAIN OF THE BIFUNCTIONAL AMINOGLYCOSIDE RESISTANCE ENZYME AAC(6')-IE-APH(2'')-IA
Descriptor:Bifunctional AAC/APH, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Smith, C.A., Toth, M., Bhattacharya, M., Frase, H., Vakulenko, S.B.
Deposit date:2014-02-11
Release date:2014-07-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the phosphotransferase domain of the bifunctional aminoglycoside-resistance enzyme AAC(6')-Ie-APH(2'')-Ia.
Acta Crystallogr.,Sect.D, 70, 2014
4QC6
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CRYSTAL STRUCTURE OF AMINOGLYCOSIDE 6'-ACETYLTRANSFERASE-IE
Descriptor:Bifunctional AAC/APH, KANAMYCIN A, (3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name), ...
Authors:Smith, C.A., Toth, M., Weiss, T.M., Frase, H., Vakulenko, S.B.
Deposit date:2014-05-09
Release date:2014-10-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of the bifunctional aminoglycoside-resistance enzyme AAC(6')-Ie-APH(2'')-Ia revealed by crystallographic and small-angle X-ray scattering analysis.
Acta Crystallogr.,Sect.D, 70, 2014
4QU3
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GES-2 ERTAPENEM ACYL-ENZYME COMPLEX
Descriptor:Beta-lactamase GES-2, (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, CALCIUM ION, ...
Authors:Stewart, N.K., Smith, C.A., Frase, H., Black, D.J., Vakulenko, S.B.
Deposit date:2014-07-10
Release date:2014-12-31
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases.
Biochemistry, 54, 2015
5CTM
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STRUCTURE OF BPU1 BETA-LACTAMASE
Descriptor:Beta-lactamase, CITRATE ANION, 1,2-ETHANEDIOL, ...
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2015-07-24
Release date:2015-11-18
Last modified:2015-12-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
5CTN
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STRUCTURE OF BPU1 BETA-LACTAMASE
Descriptor:Beta-lactamase, (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, CITRATE ANION
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2015-07-24
Release date:2015-11-25
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
5F82
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APO GES-5 C69G MUTANT
Descriptor:Beta-lactamase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2015-12-08
Release date:2016-09-07
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
5F83
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IMIPENEM COMPLEX OF THE GES-5 C69G MUTANT
Descriptor:Beta-lactamase, (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2015-12-09
Release date:2016-09-07
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
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