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6XD7
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KPC-2 N170A mutant bound to hydrolyzed ampicillin at 1.65 A
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Pemberton, O.A, Chen, Y.
登録日2020-06-10
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
6XD5
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BU of 6xd5 by Molmil
Apo KPC-2 N170A mutant at 1.20 A
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION
著者Pemberton, O.A, Chen, Y.
登録日2020-06-10
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
6X9Y
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BU of 6x9y by Molmil
The crystal structure of a Beta-lactamase from Escherichia coli CFT073
分子名称: Beta-lactamase, GLYCEROL, S,R MESO-TARTARIC ACID, ...
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-03
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a Beta-lactamase from Escherichia coli CFT073
To Be Published
6WJM
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BU of 6wjm by Molmil
The crystal structure beta-lactamase from Desulfarculus baarsii DSM 2075
分子名称: ALANINE, Beta-lactamase, CITRIC ACID
著者Chang, C, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-14
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The crystal structure beta-lactamase from Desulfarculus baarsii DSM 2075
To Be Published
6WIP
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BU of 6wip by Molmil
Class A beta-lactamase from Micromonospora aurantiaca ATCC 27029
分子名称: ACETATE ION, Beta-lactamase, SULFATE ION
著者Chang, C, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-10
公開日2020-04-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献class A beta-lactamase from Micromonospora aurantiaca ATCC 27029
To Be Published
6WIF
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BU of 6wif by Molmil
Class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ...
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-09
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid
To Be Published
6WHF
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BU of 6whf by Molmil
class C beta-lactamase from Escherichia coli in complex with cephalothin
分子名称: (2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-08
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献class C beta-lactamase from Escherichia coli in complex with Cephalothin
To Be Published
6WGR
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The crystal structure of a beta-lactamase from Staphylococcus aureus subsp. aureus USA300_TCH1516
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, GLYCEROL
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-06
公開日2020-04-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The crystal structure of a beta-lactamase from Staphylococcus aureus subsp. aureus USA300_TCH1516
To Be Published
6WGQ
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BU of 6wgq by Molmil
The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, CHLORIDE ION, ...
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-06
公開日2020-04-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T
To Be Published
6WGP
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The crystal structure of a beta lactamase from Xanthomonas campestris pv. campestris str. ATCC 33913
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ...
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-06
公開日2020-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The crystal structure of a beta lactamase from Xanthomonas campestris pv. campestris str. ATCC 33913
To Be Published
6W34
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BU of 6w34 by Molmil
Crystal Structure of Class A Beta-lactamase from Bacillus cereus
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-08
公開日2020-03-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of Class A Beta-lactamase from Bacillus cereus
To Be Published
6W33
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BU of 6w33 by Molmil
Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
著者Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-08
公開日2020-03-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate
To Be Published
6W2Z
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BU of 6w2z by Molmil
Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the Complex with the Non-beta- lactam Beta-lactamase Inhibitor Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-08
公開日2020-03-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the Complex with the Non-beta- lactam Beta-lactamase Inhibitor Avibactam
To Be Published
6VNU
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BU of 6vnu by Molmil
X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase
分子名称: Beta-lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ...
著者Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
登録日2020-01-29
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Metallocenyl 7-ACA Conjugates: Antibacterial Activity Studies and Atomic-Resolution X-ray Crystal Structure with CTX-M beta-Lactamase.
Chembiochem, 21, 2020
6VHS
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BU of 6vhs by Molmil
Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317
分子名称: (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION
著者Sacco, M.D, Chen, Y.
登録日2020-01-10
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases.
J.Med.Chem., 63, 2020
6V8V
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BU of 6v8v by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-12
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V83
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BU of 6v83 by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-10
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V7T
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BU of 6v7t by Molmil
Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-09
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V7I
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Structure of KPC-2 bound to Vaborbactam at 1.25 A
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2019-12-08
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
6V7H
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Structure of CTX-M-14 bound to Vaborbactam at 1.0 A
分子名称: 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid, Beta-lactamase, PHOSPHATE ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2019-12-08
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
6V6P
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BU of 6v6p by Molmil
Crystal structure of CTX-M-14 E166A/D240G beta-lactamase
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V6G
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BU of 6v6g by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V5E
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BU of 6v5e by Molmil
Crystal structure of CTX-M-14 P167S/D240G beta-lactamase
分子名称: Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-04
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V1J
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Structure of KPC-2 bound to QPX7728 at 1.30 A
分子名称: (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ...
著者Pemberton, O.A, Chen, Y.
登録日2019-11-20
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
6UR3
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Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
分子名称: 1,2-ETHANEDIOL, 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, ...
著者Scapin, G.
登録日2019-10-22
公開日2019-10-30
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (1.423 Å)
主引用文献Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020

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件を2024-07-10に公開中

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