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8SDS
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Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor LP-06
分子名称: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
著者Kumar, V, van den Akker, F.
登録日2023-04-07
公開日2023-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
5ZYB
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Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
分子名称: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ACETATE ION, Beta-lactamase, ...
著者Shimizu-Ibuka, A, Furukawa, N.
登録日2018-05-23
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
To Be Published
1FCO
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CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM
分子名称: (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, BETA-LACTAMASE
著者Patera, A, Blaszczak, L.C, Shoichet, B.K.
登録日2000-07-19
公開日2000-12-04
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis
J.Am.Chem.Soc., 122, 2000
1FCN
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BU of 1fcn by Molmil
Crystal Structure of the E. Coli AMPC Beta-Lactamase Mutant Q120L/Y150E Covalently Acylated with the Substrate Beta-Lactam LORACARBEF
分子名称: BETA-LACTAMASE, LORACABEF (Open form)
著者Patera, A, Blaszczak, L.C, Shoichet, B.K.
登録日2000-07-18
公開日2000-12-04
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis
J.Am.Chem.Soc., 122, 2000
1FSW
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AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID
分子名称: CEPHALOSPORINASE, N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID, PHOSPHATE ION
著者Caselli, E, Powers, R.A, Blaszczak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K.
登録日2000-09-11
公開日2001-03-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
1FR6
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BU of 1fr6 by Molmil
REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM CITROBACTER FREUNDII INDICATES A MECHANISM FOR BETA-LACTAM HYDROLYSIS
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BETA-LACTAMASE
著者Oefner, C, D'Arcy, A, Daly, J.J, Winkler, F.K.
登録日2000-09-07
公開日2001-01-17
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Refined crystal structure of beta-lactamase from Citrobacter freundii indicates a mechanism for beta-lactam hydrolysis.
Nature, 343, 1990
1FSY
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AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID
分子名称: CEPHALOSPORINASE, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID, PHOSPHATE ION
著者Caselli, E, Powers, R.A, Blasczcak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K.
登録日2000-09-11
公開日2001-03-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
6S1S
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BU of 6s1s by Molmil
Crystal structure of AmpC from Pseudomonas aeruginosa in complex with [3-(2-carboxyvinyl)phenyl]boronic acid] inhibitor
分子名称: (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Beta-lactamase, PHOSPHATE ION
著者Kekez, I, Vicario, M, Bellio, P, Tosoni, E, Celenza, G, Blazquez, J, Tondi, D, Cendron, L.
登録日2019-06-19
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Phenylboronic Acids Probing Molecular Recognition against Class A and Class C beta-lactamases.
Antibiotics, 8, 2019
1GA0
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BU of 1ga0 by Molmil
STRUCTURE OF THE E. CLOACAE GC1 BETA-LACTAMASE WITH A CEPHALOSPORIN SULFONE INHIBITOR
分子名称: 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID, BETA-LACTAMASE, GLYCEROL, ...
著者Crichlow, G.V, Nukaga, M, Buynak, J.D, Knox, J.R.
登録日2000-11-28
公開日2001-06-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibition of class C beta-lactamases: structure of a reaction intermediate with a cephem sulfone.
Biochemistry, 40, 2001
3PTE
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BU of 3pte by Molmil
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
3FKW
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BU of 3fkw by Molmil
AmpC K67R mutant apo structure
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
著者Chen, Y, McReynolds, A, Shoichet, B.K.
登録日2008-12-17
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
1GCE
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BU of 1gce by Molmil
STRUCTURE OF THE BETA-LACTAMASE OF ENTEROBACTER CLOACAE GC1
分子名称: BETA-LACTAMASE
著者Crichlow, G.V, Kuzin, A.P, Nukaga, M, Sawai, T, Knox, J.R.
登録日1999-05-17
公開日1999-08-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the extended-spectrum class C beta-lactamase of Enterobacter cloacae GC1, a natural mutant with a tandem tripeptide insertion.
Biochemistry, 38, 1999
1GA9
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BU of 1ga9 by Molmil
CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID)
分子名称: 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID, BETA-LACTAMASE, PHOSPHATE ION, ...
著者Tondi, D, Powers, R.A, Caselli, E, Negri, M.C, Blazquez, J, Costi, M.P, Shoichet, B.K.
登録日2000-11-29
公開日2001-07-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase.
Chem.Biol., 8, 2001
3S22
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BU of 3s22 by Molmil
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
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
3S1Y
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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
6TBW
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BU of 6tbw by Molmil
Crystal structure of AmpC from E.coli with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-11-04
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
6TPM
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BU of 6tpm by Molmil
Crystal structure of AmpC from E.coli with Relebactam (MK-7655)
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-12-13
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
6T7L
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Crystal structure of AmpC from E.coli with Nacubactam (OP0595)
分子名称: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
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
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
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
1HVB
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BU of 1hvb by Molmil
CRYSTAL STRUCTURE OF STREPTOMYCES R61 DD-PEPTIDASE COMPLEXED WITH A NOVEL CEPHALOSPORIN ANALOG OF CELL WALL PEPTIDOGLYCAN
分子名称: 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-( CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE
著者McDonough, M.A, Lee, W, Silvaggi, N.R, Mobashery, S, Kelly, J.A.
登録日2001-01-08
公開日2001-02-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献A 1.2-A snapshot of the final step of bacterial cell wall biosynthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
3FKV
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AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb)
分子名称: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
著者Chen, Y, McReynolds, A, Shoichet, B.K.
登録日2008-12-17
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
6T5Y
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Crystal structure of AmpC from E.coli with Zidebactam (WCK 5107)
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Beta-lactamase, CHLORIDE ION, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021

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