6MU9
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6MNP
| Crystal structure of KPC-2 with compound 6 | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-10-02 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MLL
| Crystal structure of KPC-2 with compound 7 | Descriptor: | 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-27 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MKQ
| Carbapenemase VCC-1 bound to avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Mark, B.L, Vadlamani, G. | Deposit date: | 2018-09-26 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam. Antimicrob. Agents Chemother., 63, 2019
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6MK6
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6MIA
| Crystal structure of CTX-M-14 with compound 6 | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-19 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MEY
| Crystal structure of KPC-2 with compound 9 | Descriptor: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, ACETATE ION, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-07 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MD8
| Crystal structure of CTX-M-14 with compound 3 | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-04 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6M7I
| Crystal structure of KPC-2 with compound 3 | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-08-20 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6M5Q
| A class C beta-lactamase mutant - Y150F | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase | Authors: | Bae, D.W, Jung, Y.E, Cha, S.S. | Deposit date: | 2020-03-11 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Novel inhibition mechanism of carbapenems on the ACC-1 class C beta-lactamase. Arch.Biochem.Biophys., 693, 2020
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6M5P
| A class C beta-lactamase | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase | Authors: | Bae, D.W, Jung, Y.E, Cha, S.S. | Deposit date: | 2020-03-11 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Novel inhibition mechanism of carbapenems on the ACC-1 class C beta-lactamase. Arch.Biochem.Biophys., 693, 2020
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6M5H
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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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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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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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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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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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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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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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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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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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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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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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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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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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