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3NY4
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Crystal Structure of BlaC-K73A bound with Cefamandole
分子名称: (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-07-14
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Structures of the Michaelis Complex (1.2 A) and the Covalent Acyl Intermediate (2.0 A) of Cefamandole Bound in the Active Sites of the Mycobacterium tuberculosis beta-Lactamase K73A and E166A Mutants.
Biochemistry, 49, 2010
3OPP
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ESBL R164S mutant of SHV-1 beta-lactamase complexed with SA2-13
分子名称: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Sampson, J.M, van den Akker, F.
登録日2010-09-01
公開日2011-07-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
3Q07
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CTX-M-9 S70G in complex with piperacillin
分子名称: Beta-lactamase, Hydrolyzed piperacillin, Piperacillin
著者Delmas, J, Leyssne, D, Robin, F, Coignoux, A, Bonnet, R.
登録日2010-12-15
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献CTX-M-9 S70G mutant in complex with piperacillin
To be Published
3QHY
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Structural, thermodynamic and kinetic analysis of the picomolar binding affinity interaction of the beta-lactamase inhibitor protein-II (BLIP-II) with class A beta-lactamases
分子名称: Beta-lactamase, Beta-lactamase inhibitory protein II
著者Brown, N.G, Chow, D.C, Sankaran, B, Zwart, P, Prasad, B.V.V, Palzkill, T, Berkeley Structural Genomics Center (BSGC)
登録日2011-01-26
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Analysis of the binding forces driving the tight interactions between beta-lactamase inhibitory protein-II (BLIP-II) and class A beta-lactamases.
J.Biol.Chem., 286, 2011
3NBL
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Crystal Structure of BlaC-E166A covalently bound with Cefuroxime
分子名称: (2R)-5-[(carbamoyloxy)methyl]-2-[(1R)-1-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-06-03
公開日2011-12-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献BlaC-E166A covalently bound with cephalosporins and penicillins
To be Published
3Q1F
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CTX-M-9 S70G in complex with hydrolyzed piperacillin
分子名称: Beta-lactamase, Hydrolyzed piperacillin
著者Leyssne, D, Delmas, J, Coignoux, A, Robin, F, Bonnet, R.
登録日2010-12-17
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献CTX-M-9 S70G mutant in complex with hydrolyzed piperacillin
To be Published
8GCV
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XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals
分子名称: Beta-lactamase, PHOSPHATE ION
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCT
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XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 6 ms
分子名称: Beta-lactamase, PHOSPHATE ION
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCS
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XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 ms
分子名称: Beta-lactamase, PHOSPHATE ION
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCX
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XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 700 ms
分子名称: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8G2R
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BU of 8g2r by Molmil
CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH AVIBACTAM
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC
著者Alsenani, T, van den Akker, F.
登録日2023-02-06
公開日2023-08-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water.
Antimicrob.Agents Chemother., 67, 2023
8G2T
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CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH RELEBACTAM (IMINE HYDROLYSIS INTERMEDIATE)
分子名称: (2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, PHOSPHATE ION
著者Alsenani, T, van den Akker, F.
登録日2023-02-06
公開日2023-08-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water.
Antimicrob.Agents Chemother., 67, 2023
8ISP
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Crystal structure of extended-spectrum class A beta-lactamase, CESS-1 E166Q acylated by cephalexin
分子名称: (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase
著者Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
登録日2023-03-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
8ISQ
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Crystal structure of extended-spectrum class A beta-lactamase, CESS-1 E166Q acylated by ampicillin
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, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ...
著者Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
登録日2023-03-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
8ISR
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Crystal structure of extended-spectrum class A beta-lactamase, CESS-1 E166Q acylated by cefaclor
分子名称: (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-chloro-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
著者Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
登録日2023-03-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
8ISO
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BU of 8iso by Molmil
Crystal structure of extended-spectrum class A beta-lactamase, CESS-1
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Beta-lactamase
著者Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
登録日2023-03-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
1YMS
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BU of 1yms by Molmil
X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with nafcinin-like boronic acid inhibitor
分子名称: [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID, beta-lactamase CTX-M-9
著者Chen, Y, Shoichet, B, Bonnet, R.
登録日2005-01-21
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 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
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
1YMX
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X-ray crystallographic structure of CTX-M-9 beta-lactamase covalently linked to cefoxitin
分子名称: (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, beta-lactamase CTX-M-9
著者Chen, Y, Shoichet, B, Bonnet, R.
登録日2005-01-21
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 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
1YM1
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X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with a boronic acid inhibitor (SM2)
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase CTX-M-9a
著者Chen, Y, Shoichet, B, Bonnet, R.
登録日2005-01-20
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.12 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
1YLT
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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
1YLW
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X-ray structure of CTX-M-16 beta-lactamase
分子名称: CTX-M-16 beta-lactamase, SULFATE ION
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 (1.74 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
1PIO
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AN ENGINEERED STAPHYLOCOCCUS AUREUS PC1 BETA-LACTAMASE THAT HYDROLYSES THIRD GENERATION CEPHALOSPORINS
分子名称: BETA-LACTAMASE
著者Zawadzke, L.E, Herzberg, O.
登録日1995-10-11
公開日1996-03-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An engineered Staphylococcus aureus PC1 beta-lactamase that hydrolyses third-generation cephalosporins.
Protein Eng., 8, 1995
1PZO
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TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor
分子名称: Beta-lactamase TEM, N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE
著者Horn, J.R, Shoichet, B.K.
登録日2003-07-14
公開日2004-03-09
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric inhibition through core disruption.
J.Mol.Biol., 336, 2004
1PZP
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TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor
分子名称: 3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE, Beta-lactamase TEM
著者Horn, J.R, Shoichet, B.K.
登録日2003-07-14
公開日2004-03-09
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Allosteric inhibition through core disruption.
J.Mol.Biol., 336, 2004

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