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8DA2
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BU of 8da2 by Molmil
Acinetobacter baumannii L,D-transpeptidase
Descriptor: L,D-transpeptidase family protein
Authors:Toth, M, Stewart, N.K, Smith, C.A, Vakulenko, S.B.
Deposit date:2022-06-12
Release date:2022-09-14
Last modified:2022-09-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The l,d-Transpeptidase Ldt Ab from Acinetobacter baumannii Is Poorly Inhibited by Carbapenems and Has a Unique Structural Architecture.
Acs Infect Dis., 8, 2022
1YT4
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BU of 1yt4 by Molmil
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:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Consequences of the Inhibitor-Resistant Ser130Gly Substitution in TEM beta-Lactamase.
Biochemistry, 44, 2005
8FAJ
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BU of 8faj by Molmil
OXA-48-NA-1-157 inhibitor complex
Descriptor: (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
Authors:Smith, C.A, Stewart, N.K, Toth, M, Vakulenko, S.B.
Deposit date:2022-11-28
Release date:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Exhibits Potent Activity against Klebsiella spp. Isolates Producing OXA-48-Type Carbapenemases.
Acs Infect Dis., 9, 2023
5IY2
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BU of 5iy2 by Molmil
Structure of apo OXA-143 carbapenemase
Descriptor: Beta-lactamase OXA-143, GLYCEROL
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2016-03-23
Release date:2017-08-09
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The role of conserved surface hydrophobic residues in the carbapenemase activity of the class D beta-lactamases.
Acta Crystallogr D Struct Biol, 73, 2017
6W5E
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BU of 6w5e by Molmil
Class D beta-lactamase BSU-2
Descriptor: 1,2-ETHANEDIOL, BSU-2 beta-lactamase, MALONATE ION
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
6W5F
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BU of 6w5f by Molmil
Class D beta-lactamase BSU-2 delta mutant
Descriptor: 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
7KEQ
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BU of 7keq by Molmil
avibactam-CDD-1 6 minute complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-10-11
Release date:2021-01-20
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
7KER
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BU of 7ker by Molmil
avibactam-CDD-1 45 minute complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-10-12
Release date:2021-01-20
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
7KEP
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BU of 7kep by Molmil
avibactam-CDD-1 2 minute complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-10-11
Release date:2021-01-20
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
6CTZ
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BU of 6ctz by Molmil
Structure of the GDP and kanamycin complex of APH(2")-IIia
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Gentamicin resistance protein, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-03-23
Release date:2019-03-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural basis for the diversity of the mechanism of nucleotide hydrolysis by the aminoglycoside-2''-phosphotransferases
Acta Crystallogr.,Sect.D, 75, 2019
6EDM
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BU of 6edm by Molmil
Structure of apo-CDD-1 beta-lactamase
Descriptor: Beta-lactamase, SULFATE ION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-08-09
Release date:2019-08-14
Last modified:2020-03-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structures of CDD-1, the intrinsic class D beta-lactamase from the pathogenic Gram-positive bacterium Clostridioides difficile, and its complex with cefotaxime.
J.Struct.Biol., 208, 2019
4QC6
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BU of 4qc6 by Molmil
Crystal structure of aminoglycoside 6'-acetyltransferase-Ie
Descriptor: (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), Bifunctional AAC/APH, FORMIC ACID, ...
Authors:Smith, C.A, Toth, M, Weiss, T.M, Frase, H, Vakulenko, S.B.
Deposit date:2014-05-09
Release date:2014-10-22
Last modified:2024-02-28
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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BU of 4qu3 by Molmil
GES-2 ertapenem acyl-enzyme complex
Descriptor: (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, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ...
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:2023-09-20
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases.
Biochemistry, 54, 2015
6W5O
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BU of 6w5o by Molmil
Class D beta-lactamase BAT-2 delta mutant
Descriptor: 1,2-ETHANEDIOL, BAT-2 Beta-lactamase delta mutant, CITRATE ANION
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
6W5G
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BU of 6w5g by Molmil
Class D beta-lactamase BAT-2
Descriptor: 1,2-ETHANEDIOL, BAT-2 beta-lactamase
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
3TDV
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BU of 3tdv by Molmil
Structure of the GDP complex of wild-type aminoglycoside 2'-phosphotransferase-IIIa
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Gentamicin resistance protein, MAGNESIUM ION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2011-08-11
Release date:2012-03-07
Last modified:2024-02-28
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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BU of 3tdw by Molmil
The GDP complex of the aminoglycoside 2'-phosphotransfere-IIIa F108L mutant
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Gentamicin resistance protein, MAGNESIUM ION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2011-08-11
Release date:2012-03-07
Last modified:2024-02-28
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
6BFF
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BU of 6bff by Molmil
Structure of the aminoglycoside acetyltransferase AAC(6')-Im
Descriptor: Aminoglycoside acetyltransferase, MAGNESIUM ION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2017-10-26
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Aminoglycoside resistance profile and structural architecture of the aminoglycoside acetyltransferase AAC(6')-Im.
Microb Cell, 4, 2017
6BFH
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BU of 6bfh by Molmil
Structure of the kanamycin complex of aminoglycoside acetyltransferase AAC(6')-Im
Descriptor: Aminoglycoside acetyltransferase, GLYCEROL, KANAMYCIN A
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2017-10-26
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Aminoglycoside resistance profile and structural architecture of the aminoglycoside acetyltransferase AAC(6')-Im.
Microb Cell, 4, 2017
7T7G
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BU of 7t7g by Molmil
Imipenem-OXA-23 2 minute complex
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7E
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BU of 7t7e by Molmil
MA-1-206-OXA-23 3 minute complex
Descriptor: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7F
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BU of 7t7f by Molmil
MA-1-206-OXA-23 25 minute complex
Descriptor: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7D
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BU of 7t7d by Molmil
MA-1-206-OXA-23 30s complex
Descriptor: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
3HAV
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BU of 3hav by Molmil
Structure of the streptomycin-ATP-APH(2")-IIa ternary complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside phosphotransferase, 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:2023-09-06
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
3HAM
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BU of 3ham by Molmil
Structure of the gentamicin-APH(2")-IIa complex
Descriptor: (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-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Aminoglycoside phosphotransferase, 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:2024-02-21
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

 

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