3NIA
 
 | | GES-2 carbapenemase tazobactam complex | | 分子名称: | (3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine, Beta-lactamase GES-2, TAZOBACTAM INTERMEDIATE | | 著者 | Frase, H, Smith, C.A, Toth, M, Vakulenko, S.B. | | 登録日 | 2010-06-15 | | 公開日 | 2011-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | 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
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3NI9
 | | GES-2 carbapenemase apo form | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-2 | | 著者 | Frase, H, Smith, C.A, Toth, M, Vakulenko, S.B. | | 登録日 | 2010-06-15 | | 公開日 | 2011-02-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Kinetic and structural requirements for carbapenemase activity in GES-type beta-lactamases.
Biochemistry, 54, 2015
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4QU3
 | | GES-2 ertapenem acyl-enzyme complex | | 分子名称: | (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, ... | | 著者 | Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B. | | 登録日 | 2014-07-10 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | | 主引用文献 | Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases.
Biochemistry, 54, 2015
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4ZDX
 | | Structure of OXA-51 beta-lactamase | | 分子名称: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-lactamase, GLYCEROL | | 著者 | Smith, C.A, Antunes, N.T, Stewart, N.K, Frase, H, Toth, M, Kantardjieff, K.A, Vakulenko, S.B. | | 登録日 | 2015-04-20 | | 公開日 | 2015-06-17 | | 最終更新日 | 2015-09-02 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Structural Basis for Enhancement of Carbapenemase Activity in the OXA-51 Family of Class D beta-Lactamases.
Acs Chem.Biol., 10, 2015
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4ORK
 | | Crystal Structure of the Phosphotransferase Domain of the Bifunctional Aminoglycoside Resistance Enzyme AAC(6')-Ie-APH(2'')-Ia | | 分子名称: | Bifunctional AAC/APH, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Smith, C.A, Toth, M, Bhattacharya, M, Frase, H, Vakulenko, S.B. | | 登録日 | 2014-02-11 | | 公開日 | 2014-07-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of the phosphotransferase domain of the bifunctional aminoglycoside-resistance enzyme AAC(6')-Ie-APH(2'')-Ia.
Acta Crystallogr.,Sect.D, 70, 2014
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4QC6
 | | Crystal structure of aminoglycoside 6'-acetyltransferase-Ie | | 分子名称: | (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, ... | | 著者 | Smith, C.A, Toth, M, Weiss, T.M, Frase, H, Vakulenko, S.B. | | 登録日 | 2014-05-09 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | 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
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3N4U
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3N4V
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3N4T
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5F83
 | | Imipenem complex of the GES-5 C69G mutant | | 分子名称: | (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 | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2015-12-09 | | 公開日 | 2016-09-07 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
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5F82
 | | Apo GES-5 C69G mutant | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2015-12-08 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
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5CTN
 | | Structure of BPu1 beta-lactamase | | 分子名称: | (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, Beta-lactamase, CITRATE ANION | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2015-07-24 | | 公開日 | 2015-11-25 | | 最終更新日 | 2016-10-05 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
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5CTM
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4GOG
 | | Crystal structure of the GES-1 imipenem acyl-enzyme complex | | 分子名称: | (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, ... | | 著者 | Smith, C.A, Vakulenko, S.B, Munoz, J. | | 登録日 | 2012-08-20 | | 公開日 | 2013-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
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4GNU
 | | Crystal structure of GES-5 carbapenemase | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5 | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2012-08-17 | | 公開日 | 2013-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
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4H8R
 | | Imipenem complex of GES-5 carbapenemase | | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Extended-spectrum beta-lactamase GES-5, IODIDE ION, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2012-09-23 | | 公開日 | 2013-07-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
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3TDV
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3TDW
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3LEZ
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3IOP
 | | PDK-1 in complex with the inhibitor Compound-8i | | 分子名称: | 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1 | | 著者 | Olland, A.M. | | 登録日 | 2009-08-14 | | 公開日 | 2010-02-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
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3ION
 | | PDK1 in complex with Compound 8h | | 分子名称: | 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION | | 著者 | Olland, A.M. | | 登録日 | 2009-08-14 | | 公開日 | 2010-02-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
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