7LNL
| Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem | 分子名称: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | 登録日 | 2021-02-07 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
|
|
6CYQ
| Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime | 分子名称: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, GLYCEROL | 著者 | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | 登録日 | 2018-04-06 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
|
|
6H27
| Structure of S70C BlaC from Mycobacterium tuberculosis | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, BlaC | 著者 | Tassoni, R, Pannu, N.S, Ubbink, M. | 登録日 | 2018-07-13 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis. Biochemistry, 58, 2019
|
|
6CYN
| CTX-M-14 N106S/D240G mutant | 分子名称: | Beta-lactamase | 著者 | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | 登録日 | 2018-04-06 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
|
|
6CYK
| CTX-M-14 N106S mutant | 分子名称: | ACETATE ION, Beta-lactamase | 著者 | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | 登録日 | 2018-04-06 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
|
|
6D19
| Crystal structure of KPC-2 complexed with compound 9 | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2018-04-11 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
|
|
6D3G
| PER-2 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 2.4 Angstrom resolution | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, TETRAETHYLENE GLYCOL | 著者 | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | 登録日 | 2018-04-16 | 公開日 | 2019-04-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.398 Å) | 主引用文献 | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam. Antimicrob.Agents Chemother., 63, 2019
|
|
6D17
| Crystal structure of KPC-2 complexed with compound 3 | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2018-04-11 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
|
|
7QLP
| Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | 著者 | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | 登録日 | 2021-12-20 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
|
|
6D18
| Crystal structure of KPC-2 complexed with compound 6 | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2018-04-11 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
|
|
7QNK
| Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution | 分子名称: | ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE | 著者 | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | 登録日 | 2021-12-21 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
|
|
6CYU
| Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime | 分子名称: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase | 著者 | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | 登録日 | 2018-04-06 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
|
|
7QOR
| Structure of beta-lactamase TEM-171 | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | 著者 | Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M. | 登録日 | 2021-12-28 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | 主引用文献 | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
|
|
6DGU
| PER-2 class A extended-spectrum beta-lactamase crystal structure at 2.69 Angstrom resolution | 分子名称: | Beta-lactamase | 著者 | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | 登録日 | 2018-05-18 | 公開日 | 2019-05-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.691 Å) | 主引用文献 | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam. Antimicrob.Agents Chemother., 63, 2019
|
|
7LR9
| Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem | 分子名称: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | Furey, I, Palzkill, T, Hu, L, Prasad, B.V.V. | 登録日 | 2021-02-16 | 公開日 | 2022-08-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Crystal structure of KPC-2 T215P mutant To Be Published
|
|
7DDM
| Crystal Structure of PenA39 beta-Lactamase | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ALA-ALA-ARG-ASP-ALA-ALA-VAL-SER-ASP-ALA-ALA-ALA, ... | 著者 | Nukaga, M, Hoshino, T, Papp-Wallace, K.M. | 登録日 | 2020-10-29 | 公開日 | 2021-11-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Frameshift mutations in genes encoding PBP3 and PBP4 trigger an unusual, extreme beta-lactam resistance phenotype in Burkholderia multivorans To Be Published
|
|
7R3R
| |
7R3Q
| |
6J2B
| CTX-M-64 beta-lactamase S130T sulbactam complex | 分子名称: | Beta-lactamase, GLYCEROL, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | 著者 | Cheng, Q, Chen, S. | 登録日 | 2018-12-31 | 公開日 | 2019-10-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | 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
|
|
7BH4
| XFEL structure of apo CTX-M-15 after mixing for 0.7 sec with ertapenem using a piezoelectric injector (PolyPico) | 分子名称: | Beta-lactamase, SULFATE ION | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | 登録日 | 2021-01-10 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
|
|
7BH5
| XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico) | 分子名称: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | 登録日 | 2021-01-10 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
|
|
7BH7
| Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24 | 分子名称: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | 登録日 | 2021-01-10 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
|
|
7BH6
| Room temperature, serial X-ray structure of CTX-M-15 collected on fixed target chips at Diamond Light Source I24 | 分子名称: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | 登録日 | 2021-01-10 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
|
|
7BH3
| XFEL structure of CTX-M-15 resting state | 分子名称: | Beta-lactamase, CHLORIDE ION, SULFATE ION | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | 登録日 | 2021-01-10 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
|
|
6J2O
| Crystal structure of CTX-M-64 clavulanic acid complex | 分子名称: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase | 著者 | Cheng, Q, Chen, S. | 登録日 | 2019-01-02 | 公開日 | 2019-10-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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
|
|