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PDB: 44 件
6MZ2
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BU of 6mz2 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 7.9
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-11-03
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (0.83 Å)
主引用文献Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V7H
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BU of 6v7h by Molmil
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
6MZ1
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CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-11-03
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam.
Proc.Natl.Acad.Sci.USA, 117, 2020
6BT6
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BU of 6bt6 by Molmil
CTX-M-14 S237A Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor
分子名称: Beta-lactamase, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
著者Pemberton, O.A, Chen, Y.
登録日2017-12-05
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine beta-Lactamases.
Antimicrob. Agents Chemother., 62, 2018
1YLT
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BU of 1ylt by Molmil
Atomic resolution structure of CTX-M-14 beta-lactamase
分子名称: SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-14
著者Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R.
登録日2005-01-19
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability.
J.Mol.Biol., 348, 2005
4XXR
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BU of 4xxr by Molmil
Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 E166A Beta-Lactamase
分子名称: CTX-M-14 Class A Beta-Lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ...
著者Lewandowski, E.M, Chen, Y.
登録日2015-01-30
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Antibacterial properties and atomic resolution X-ray complex crystal structure of a ruthenocene conjugated beta-lactam antibiotic.
Chem.Commun.(Camb.), 51, 2015
6OOF
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BU of 6oof by Molmil
CTX-M-14 Beta Lactamase with Compound 20
分子名称: 3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase
著者Kemp, M, Chen, Y.
登録日2019-04-23
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.236 Å)
主引用文献An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.
Org Chem Front, 6, 2019
1YLY
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BU of 1yly by Molmil
X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with ceftazidime-like boronic acid
分子名称: PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, beta-lactamase CTX-M-9
著者Chen, Y, Shoichet, B, Bonnet, R.
登録日2005-01-19
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
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
5TOY
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BU of 5toy by Molmil
X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with CTX-M-14 E166A Beta-Lactamase
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION, ...
著者Lewandowski, E.M, Chen, Y.
登録日2016-10-19
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mechanisms of proton relay and product release by Class A beta-lactamase at ultrahigh resolution.
FEBS J., 285, 2018
6UNB
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BU of 6unb by Molmil
Crystal structure of CTX-M-14 in complex with temocillin
分子名称: (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Sacco, M, Chen, Y.
登録日2019-10-11
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
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
1YLZ
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BU of 1ylz by Molmil
X-ray crystallographic structure of CTX-M-14 beta-lactamase complexed with ceftazidime-like boronic acid
分子名称: BETA-LACTAMASE CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
著者Chen, Y, Shoichet, B, Bonnet, R.
登録日2005-01-19
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
8DON
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BU of 8don by Molmil
Beta-lactamase CTX-M-14 T215A
分子名称: Beta-lactamase, PHOSPHATE ION
著者Lu, S, Palzkill, T.
登録日2022-07-13
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
6MIA
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BU of 6mia by Molmil
Crystal structure of CTX-M-14 with compound 6
分子名称: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase
著者Akhtar, A, Chen, Y.
登録日2018-09-19
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6OOK
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BU of 6ook by Molmil
CTX-M-14 Beta Lactamase with Compound 3
分子名称: 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase, PHOSPHATE ION
著者Kemp, M, Chen, Y.
登録日2019-04-23
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.
Org Chem Front, 6, 2019
6MD8
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BU of 6md8 by Molmil
Crystal structure of CTX-M-14 with compound 3
分子名称: 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE
著者Akhtar, A, Chen, Y.
登録日2018-09-04
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6OOJ
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BU of 6ooj by Molmil
CTX-M-14 Beta Lactamase with Compound 14
分子名称: 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase
著者Kemp, M, Chen, Y.
登録日2019-04-23
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.
Org Chem Front, 6, 2019
7K2W
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BU of 7k2w by Molmil
Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed cefotaxime
分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
著者Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V.
登録日2020-09-09
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
8DP4
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BU of 8dp4 by Molmil
Beta-lactamase CTX-M-14 T235A
分子名称: Beta-lactamase
著者Lu, S, Palzkill, T.
登録日2022-07-14
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
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
8ELA
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BU of 8ela by Molmil
CTX-M-14 beta-lactamase mutant - N132A w MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, CHLORIDE ION, ...
著者Lu, S, Palzkill, T, Hu, L, Prasad, B.V.V.
登録日2022-09-23
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8ELB
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BU of 8elb by Molmil
CTX-M-14 beta-lactamase mutant- N132A
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER
著者Lu, S, Neetu, N, Palzkill, T.
登録日2022-09-23
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8DOE
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BU of 8doe by Molmil
Crystal Structure of CTX-M-14 N106A
分子名称: Beta-lactamase
著者Lu, S, Palzkill, T.
登録日2022-07-12
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
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

 

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