6J2K
| CTX-M-64 beta-lactamase S130T clavulanic acid complex | Descriptor: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2019-01-01 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution. Acs Infect Dis., 6, 2020
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6J2O
| Crystal structure of CTX-M-64 clavulanic acid complex | Descriptor: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2019-01-02 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution. Acs Infect Dis., 6, 2020
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6J8Q
| Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-01-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.787 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN3
| Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.216 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN4
| Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | Descriptor: | ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN5
| Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | Descriptor: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6K8X
| Crystal structure of a class C beta lactamase | Descriptor: | Beta-lactamase | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | Deposit date: | 2019-06-13 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1. Antimicrob.Agents Chemother., 63, 2019
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6K9T
| Crystal structure of a class C beta-lactamase in complex with cefotaxime | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | Deposit date: | 2019-06-17 | Release date: | 2019-10-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.459 Å) | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1. Antimicrob.Agents Chemother., 63, 2019
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6KA5
| Crystal structure of a class C beta-lactamase in complex with cefoxitin | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | Deposit date: | 2019-06-20 | Release date: | 2019-10-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1. Antimicrob.Agents Chemother., 63, 2019
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6KBY
| Crystal structure of a class C beta lactamase in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Beta-lactamase | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | Deposit date: | 2019-06-26 | Release date: | 2019-10-16 | Last modified: | 2019-11-06 | Method: | X-RAY DIFFRACTION (1.097 Å) | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1. Antimicrob.Agents Chemother., 63, 2019
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6KJC
| lovastatin esterase PcEST, wild type | Descriptor: | FORMIC ACID, Pc15g00720 protein | Authors: | Liang, Y.J, Lu, X.F. | Deposit date: | 2019-07-22 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Structural insights into the catalytic mechanism of lovastatin hydrolase J.Biol.Chem., 2019
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6KJD
| lovastatin esterase PcEST inactive mutant S57A in complex with lovastatin | Descriptor: | (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, Pc15g00720 protein, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM | Authors: | Liang, Y.J, Lu, X.F. | Deposit date: | 2019-07-22 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural insights into the catalytic mechanism of lovastatin hydrolase J.Biol.Chem., 2019
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6KJE
| lovastatin esterase PcEST in complex with monacolin J | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, ACETATE ION, Pc15g00720 protein, ... | Authors: | Liang, Y.J, Lu, X.F. | Deposit date: | 2019-07-22 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.484 Å) | Cite: | Structural insights into the catalytic mechanism of lovastatin hydrolase J.Biol.Chem., 2019
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6KJF
| lovastatin esterase PcEST in complex with simvastatin | Descriptor: | Pc15g00720 protein, Simvastatin acid, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM | Authors: | Liang, Y.J, Lu, X.F. | Deposit date: | 2019-07-22 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the catalytic mechanism of lovastatin hydrolase J.Biol.Chem., 2019
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6KJH
| Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | Descriptor: | Putative beta-lactamase, SULFATE ION | Authors: | Xiao, F, Sheng, D, Feng, Y, Li, W. | Deposit date: | 2019-07-22 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase. J.Am.Chem.Soc., 142, 2020
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6KJJ
| Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | Descriptor: | 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid, Putative beta-lactamase | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | Deposit date: | 2019-07-22 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase. J.Am.Chem.Soc., 142, 2020
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6KJP
| Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | Descriptor: | (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase, SULFATE ION | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | Deposit date: | 2019-07-23 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase. J.Am.Chem.Soc., 142, 2020
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6KJQ
| Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | Descriptor: | (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | Deposit date: | 2019-07-23 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase. J.Am.Chem.Soc., 142, 2020
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6KJR
| Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | Descriptor: | 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid, Putative beta-lactamase | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | Deposit date: | 2019-07-23 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.361 Å) | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase. J.Am.Chem.Soc., 142, 2020
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6KJT
| Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | Descriptor: | Putative beta-lactamase, SUCCINIC ACID | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | Deposit date: | 2019-07-23 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase. J.Am.Chem.Soc., 142, 2020
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6KSU
| Crystal structure of SurE | Descriptor: | Alpha/beta hydrolase, MALONATE ION, SULFATE ION, ... | Authors: | Zhai, R, Mori, T, Abe, I. | Deposit date: | 2019-08-26 | Release date: | 2020-06-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Heterochiral coupling in non-ribosomal peptide macrolactamization Nat Catal, 2020
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6KSV
| Crystal structure of SurE with D-Leu | Descriptor: | Alpha/beta hydrolase, D-LEUCINE, S-(2-acetamidoethyl) (2R)-2-azanyl-4-methyl-pentanethioate, ... | Authors: | Zhai, R, Mori, T, Abe, I. | Deposit date: | 2019-08-26 | Release date: | 2020-06-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Heterochiral coupling in non-ribosomal peptide macrolactamization Nat Catal, 2020
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6LC7
| Crystal structure of AmpC Ent385 free form | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, GLYCEROL, ... | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2019-11-18 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion. Antimicrob.Agents Chemother., 64, 2020
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6LC8
| Crystal structure of AmpC Ent385 complex form with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, ... | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2019-11-18 | Release date: | 2020-04-22 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion. Antimicrob.Agents Chemother., 64, 2020
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6LC9
| Crystal structure of AmpC Ent385 complex form with ceftazidime | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ACYLATED CEFTAZIDIME, Beta-lactamase, ... | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2019-11-18 | Release date: | 2020-04-22 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion. Antimicrob.Agents Chemother., 64, 2020
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