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5W13
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ADC-7 in complex with boronic acid transition state inhibitor SM23
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase
著者Smolen, K.A, Powers, R.A, Wallar, B.J.
登録日2017-06-01
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
5W12
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ADC-7 in complex with boronic acid transition state inhibitor EC04
分子名称: 3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase
著者Smolen, K.A, Powers, R.A, Wallar, B.J.
登録日2017-06-01
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
5WAD
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ADC-7 in complex with boronic acid transition state inhibitor CR161
分子名称: Beta-lactamase, PHOSPHATE ION, phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
著者Powers, R.A, Wallar, B.J.
登録日2017-06-26
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
5ZFL
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Crystal structure of beta-lactamase PenP mutant E166Y
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2018-03-06
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5ZG6
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Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "post-acylation" intermediate
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2018-03-07
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5ZH8
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Crystal Structure of FmtA from Staphylococcus aureus at 2.58 A
分子名称: GLYCEROL, Protein FmtA
著者Dalal, V, Kumar, P, Golemi-Kotra, D, Kumar, P.
登録日2018-03-12
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Repurposing an Ancient Protein Core Structure: Structural Studies on FmtA, a Novel Esterase of Staphylococcus aureus.
J.Mol.Biol., 431, 2019
5ZFT
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Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "pre-deacylation" intermediate
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2018-03-07
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5TGF
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Crystal structure of putative beta-lactamase from Bacteroides dorei DSM 17855
分子名称: CALCIUM ION, GLYCEROL, Uncharacterized protein
著者Nocek, B, Hatzos-Skintges, C, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2016-09-27
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of a beta-lactamase from Bacteroides dorei DSM 17855
To Be Published
3RJU
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Crystal Structure of Beta-lactamase/D-alanine Carboxypeptidase from Yersinia pestis complexed with citrate
分子名称: Beta-lactamase/D-alanine Carboxypeptidase, CITRIC ACID, GLYCEROL
著者Kim, Y, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-04-15
公開日2011-04-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Beta-lactamase/D-alanine Carboxypeptidase from Yersinia pestis complexed with citrate
To be Published
3S22
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with an inhibitor
分子名称: Beta-lactamase, CHLORIDE ION, [(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
著者Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
登録日2011-05-16
公開日2011-06-29
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
3PTE
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THE REFINED CRYSTALLOGRAPHIC STRUCTURE OF A DD-PEPTIDASE PENICILLIN-TARGET ENZYME AT 1.6 A RESOLUTION
分子名称: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE
著者Kelly, J.A, Kuzin, A.P.
登録日1994-08-05
公開日1995-08-15
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The refined crystallographic structure of a DD-peptidase penicillin-target enzyme at 1.6 A resolution.
J.Mol.Biol., 254, 1995
3SH7
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BU of 3sh7 by Molmil
Crystal structure of fluorophore-labeled beta-lactamase PenP
分子名称: 1-[6-(dimethylamino)naphthalen-2-yl]ethanone, Beta-lactamase
著者Wong, W.-T, Zhao, Y.-X, Leung, Y.-C.
登録日2011-06-16
公開日2011-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Increased structural flexibility at the active site of a fluorophore-conjugated beta-lactamase distinctively impacts its binding toward diverse cephalosporin antibiotics
J.Biol.Chem., 286, 2011
3S1Y
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BU of 3s1y by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with a beta-lactamase inhibitor
分子名称: Beta-lactamase, CHLORIDE ION, ISOPROPYL ALCOHOL, ...
著者Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
登録日2011-05-16
公開日2011-06-29
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
3S4X
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BU of 3s4x by Molmil
Crystal structure of the Asn152Gly mutant of P99 beta-lactamase
分子名称: Beta-lactamase, SULFATE ION
著者Ruble, J.F, Powers, R.A.
登録日2011-05-20
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural analysis of the Asn152Gly mutant of P99 cephalosporinase.
Acta Crystallogr.,Sect.D, 68, 2012
3SH9
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BU of 3sh9 by Molmil
Crystal structure of fluorophore-labeled beta-lactamase PenP in complex with cefotaxime
分子名称: 1-[6-(dimethylamino)naphthalen-2-yl]ethanone, Beta-lactamase, CEFOTAXIME, ...
著者Wong, W.-T, Zhao, Y.-X, Leung, Y.-C.
登録日2011-06-16
公開日2011-07-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Increased structural flexibility at the active site of a fluorophore-conjugated beta-lactamase distinctively impacts its binding toward diverse cephalosporin antibiotics
J.Biol.Chem., 286, 2011
3SH8
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Crystal structure of fluorophore-labeled beta-lactamase PenP in complex with cephaloridine
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Wong, W.-T, Zhao, Y.-X, Leung, Y.-C.
登録日2011-06-16
公開日2011-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Increased structural flexibility at the active site of a fluorophore-conjugated beta-lactamase distinctively impacts its binding toward diverse cephalosporin antibiotics
J.Biol.Chem., 286, 2011
3SOI
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BU of 3soi by Molmil
Crystallographic structure of Bacillus licheniformis beta-lactamase W210F/W229F/W251F at 1.73 angstrom resolution
分子名称: Beta-lactamase, CITRIC ACID
著者Acierno, J.P, Capaldi, S, Risso, V.A, Monaco, H.L, Ermacora, M.R.
登録日2011-06-30
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis beta-lactamase.
Protein Sci., 21, 2012
4BLM
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BU of 4blm by Molmil
BETA-LACTAMASE OF BACILLUS LICHENIFORMIS 749(SLASH)C. REFINEMENT AT 2 ANGSTROMS RESOLUTION AND ANALYSIS OF HYDRATION
分子名称: BETA-LACTAMASE, SULFATE ION
著者Knox, J.R, Moews, P.C.
登録日1991-05-28
公開日1993-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Beta-lactamase of Bacillus licheniformis 749/C. Refinement at 2 A resolution and analysis of hydration.
J.Mol.Biol., 220, 1991
4GB7
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BU of 4gb7 by Molmil
Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis
分子名称: 1,2-ETHANEDIOL, 6-aminohexanoate-dimer hydrolase, NITRATE ION
著者Osipiuk, J, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-07-26
公開日2012-08-08
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis.
To be Published
4HEF
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BU of 4hef by Molmil
Structure of avibactam bound to Pseudomonas aeruginosa AmpC
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL
著者Lahiri, S.D.
登録日2012-10-03
公開日2013-06-05
最終更新日2020-09-16
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural Insight into Potent Broad-Spectrum Inhibition with Reversible Recyclization Mechanism: Avibactam in Complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-Lactamases
Antimicrob.Agents Chemother., 57, 2013
4GZB
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BU of 4gzb by Molmil
Crystal structure of native AmpC beta-lactamase from Pseudomonas aeruginosa PAO1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase
著者Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S.
登録日2012-09-06
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases
Antimicrob.Agents Chemother., 57, 2013
4E3J
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Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7999 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3M
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Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4IVK
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BU of 4ivk by Molmil
Crystal structure of a fammily VIII carboxylesterase in a complex with cephalothin.
分子名称: CEPHALOTHIN GROUP, Carboxylesterases, SULFATE ION
著者An, Y.J, Kim, M.-K, Jeong, C.-S, Cha, S.-S.
登録日2013-01-23
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the beta-lactamase activity of EstU1, a family VIII carboxylesterase.
Proteins, 81, 2013
4E3O
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Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor
分子名称: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012

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