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7USZ
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BU of 7usz by Molmil
Human DDAH-1, holo (Zn-bound) form
Descriptor: CHLORIDE ION, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, ZINC ION
Authors:Smith, C.A, Ghebre, Y.T.
Deposit date:2022-04-26
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors.
Biochim Biophys Acta Gen Subj, 1866, 2022
7UT0
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BU of 7ut0 by Molmil
Human DDAH-1, apo form
Descriptor: 1,2-ETHANEDIOL, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
Authors:Smith, C.A, Ghebre, Y.T.
Deposit date:2022-04-26
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors.
Biochim Biophys Acta Gen Subj, 1866, 2022
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
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
1LCF
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BU of 1lcf by Molmil
CRYSTAL STRUCTURE OF COPPER-AND OXALATE-SUBSTITUTED HUMAN LACTOFERRIN AT 2.0 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, COPPER (II) ION, ...
Authors:Smith, C.A, Anderson, B.F, Baker, H.M, Baker, E.N.
Deposit date:1994-01-11
Release date:1994-08-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of copper- and oxalate-substituted human lactoferrin at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
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
1MNE
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BU of 1mne by Molmil
TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MG-PYROPHOSPHATE
Descriptor: MAGNESIUM ION, MYOSIN, PYROPHOSPHATE 2-
Authors:Smith, C.A, Rayment, I.
Deposit date:1995-04-20
Release date:1996-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray structure of the magnesium(II)-pyrophosphate complex of the truncated head of Dictyostelium discoideum myosin to 2.7 A resolution.
Biochemistry, 34, 1995
4ZDX
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BU of 4zdx by Molmil
Structure of OXA-51 beta-lactamase
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-lactamase, GLYCEROL
Authors:Smith, C.A, Antunes, N.T, Stewart, N.K, Frase, H, Toth, M, Kantardjieff, K.A, Vakulenko, S.B.
Deposit date:2015-04-20
Release date:2015-06-17
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Basis for Enhancement of Carbapenemase Activity in the OXA-51 Family of Class D beta-Lactamases.
Acs Chem.Biol., 10, 2015
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
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
1LFI
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BU of 1lfi by Molmil
METAL SUBSTITUTION IN TRANSFERRINS: THE CRYSTAL STRUCTURE OF HUMAN COPPER-LACTOFERRIN AT 2.1 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, COPPER (II) ION, ...
Authors:Smith, C.A, Anderson, B.F, Baker, H.M, Baker, E.N.
Deposit date:1992-02-10
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Metal substitution in transferrins: the crystal structure of human copper-lactoferrin at 2.1-A resolution.
Biochemistry, 31, 1992
6P96
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BU of 6p96 by Molmil
OXA-48 carbapanemase, apo form
Descriptor: Beta-lactamase, CADMIUM ION, CALCIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P9C
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BU of 6p9c by Molmil
OXA-48 carbapanemase, doripenem complex
Descriptor: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P99
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BU of 6p99 by Molmil
OXA-48 carbapanemase, ertapenem 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, Beta-lactamase, CADMIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P98
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BU of 6p98 by Molmil
OXA-48 carbapanemase, meropenem complex
Descriptor: Beta-lactamase, CADMIUM ION, CALCIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P97
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BU of 6p97 by Molmil
OXA-48 carbapanemase, imipenem complex
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
5F83
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BU of 5f83 by Molmil
Imipenem complex of the GES-5 C69G mutant
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2015-12-09
Release date:2016-09-07
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
5F82
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BU of 5f82 by Molmil
Apo GES-5 C69G mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2015-12-08
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
4GOG
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BU of 4gog by Molmil
Crystal structure of the GES-1 imipenem acyl-enzyme complex
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase GES-1, 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
4GNU
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BU of 4gnu by Molmil
Crystal structure of GES-5 carbapenemase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5
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
4H8R
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BU of 4h8r by Molmil
Imipenem complex of GES-5 carbapenemase
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Extended-spectrum beta-lactamase GES-5, 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
4ORK
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BU of 4ork by Molmil
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
Last modified:2024-02-28
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
4OH0
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BU of 4oh0 by Molmil
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

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