6JKA
 
 | | Crystal structure of metallo-beta-lactamse, IMP-1, in complex with a thiazole-bearing inhibitor | | 分子名称: | 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid, 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one, Metallo-beta-lactamase type 2, ... | | 著者 | Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T. | | 登録日 | 2019-02-28 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.006 Å) | | 主引用文献 | Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes.
Chem Pharm Bull (Tokyo), 69, 2021
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6JED
 | | Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFANYLACETIC ACID, ... | | 著者 | Wachino, J. | | 登録日 | 2019-02-05 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
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6JKB
 | | Crystal structure of metallo-beta-lactamse, NDM-1, in complex with hydrolyzed ampicillin | | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | | 著者 | Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T. | | 登録日 | 2019-02-28 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.444 Å) | | 主引用文献 | Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes.
Chem Pharm Bull (Tokyo), 69, 2021
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6JN6
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6JV4
 | | Crystal structure of metallo-beta-lactamase VMB-1 | | 分子名称: | CITRIC ACID, VMB-1, ZINC ION | | 著者 | Cheng, Q, Chen, S. | | 登録日 | 2019-04-15 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Genetic and Biochemical Characterization of VMB-1, a Novel Metallo-beta-Lactamase Encoded by a Conjugative, Broad-Host Range IncC Plasmid from Vibrio spp.
Adv Biosyst, 4, 2020
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6K4T
 | | Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-sulfanylbenzoic acid, Metallo-beta-lactamase, ... | | 著者 | Wachino, J. | | 登録日 | 2019-05-27 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
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6IBV
 | | Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L. | | 登録日 | 2018-11-30 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6KNT
 | | Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group P4332) | | 分子名称: | Putative metal-dependent hydrolase, ZINC ION | | 著者 | Na, H.W, Namgung, B, Song, W.S, Yoon, S.I. | | 登録日 | 2019-08-07 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and biochemical analyses of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis.
Biochem.Biophys.Res.Commun., 519, 2019
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6K4X
 | | Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-azanyl-2-sulfanyl-benzoic acid, Metallo-beta-lactamase, ... | | 著者 | Wachino, J. | | 登録日 | 2019-05-27 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
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6IBS
 | | Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6 | | 分子名称: | CALCIUM ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | 著者 | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L. | | 登録日 | 2018-11-30 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6KNS
 | | Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group I4122) | | 分子名称: | CALCIUM ION, Putative metal-dependent hydrolase, ZINC ION | | 著者 | Na, H.W, Namgung, B, Song, W.S, Yoon, S.I. | | 登録日 | 2019-08-07 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural and biochemical analyses of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis.
Biochem.Biophys.Res.Commun., 519, 2019
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6KZL
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6KXO
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6KW1
 | | The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide 1b | | 分子名称: | 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | | 著者 | Yang, K.W, Xiang, Y. | | 登録日 | 2019-09-05 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.775212 Å) | | 主引用文献 | Kinetic, Thermodynamic, and Crystallographic Studies of 2-Triazolylthioacetamides as Verona Integron-Encoded Metallo-beta-Lactamase 2 (VIM-2) Inhibitor.
Biomolecules, 10, 2020
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7T28
 | | Structure of phage Bsp38 anti-Pycsar nuclease Apyc1 in apo state | | 分子名称: | Putative metal-dependent hydrolase, ZINC ION | | 著者 | Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
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7VQJ
 | | Crystal structure of NDM-1 in complex with hydrolyzed 1u. | | 分子名称: | (2R)-2-[(1S)-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase NDM-1, ZINC ION | | 著者 | Xie, H.X. | | 登録日 | 2021-10-20 | | 公開日 | 2022-10-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal structure of NDM-1 in complex with hydrolyzed 1u.
To Be Published
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7U2R
 | | Structure of Paenibacillus sp. J14 Apyc1 | | 分子名称: | Apyc1, ZINC ION | | 著者 | Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J. | | 登録日 | 2022-02-24 | | 公開日 | 2022-04-20 | | 最終更新日 | 2022-06-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
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7U2S
 | | Structure of Paenibacillus xerothermodurans Apyc1 in the apo state | | 分子名称: | Apyc1, ZINC ION | | 著者 | Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J. | | 登録日 | 2022-02-24 | | 公開日 | 2022-04-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
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7WZU
 | | Crystal structure of metallo-beta-lactamase IMP-6. | | 分子名称: | Beta-lactamase, ZINC ION | | 著者 | Yamaguchi, Y, Kurosaki, H. | | 登録日 | 2022-02-19 | | 公開日 | 2023-01-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Difference in the Inhibitory Effect of Thiol Compounds and Demetallation Rates from the Zn(II) Active Site of Metallo-beta-lactamases (IMP-1 and IMP-6) Associated with a Single Amino Acid Substitution.
Acs Infect Dis., 9, 2023
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7UYD
 | | Inhibitor bound VIM1 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | 著者 | Fischmann, T.O, Scapin, G. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYC
 | | Inhibitor bound VIM1 | | 分子名称: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | | 著者 | Fischmann, T.O, Scapin, G. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYA
 | | Inhibitor bound VIM1 | | 分子名称: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | 著者 | Fischmann, T.O, Scapin, G. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYB
 | | Inhibitor bound VIM1 | | 分子名称: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | 著者 | Fischmann, T.O, Scapin, G. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7TZA
 | | Structure of PQS Response Protein PqsE in complex with N-(4-(3-neopentylureido)phenyl)-1H-indazole-7-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide, ... | | 著者 | Jeffrey, P.D, Taylor, I.R, Bassler, B.L. | | 登録日 | 2022-02-15 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa.
Biochemistry, 61, 2022
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7U6G
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