6AUF
 
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5YD7
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5NBK
 | | NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data | | 分子名称: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ... | | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | 登録日 | 2017-03-02 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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6MGZ
 | | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 4 from Klebsiella pneumoniae | | 分子名称: | FORMIC ACID, MAGNESIUM ION, NDM-4, ... | | 著者 | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-09-16 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.647 Å) | | 主引用文献 | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 4 from Klebsiella pneumoniae
To Be Published
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6MGX
 | | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 6 Klebsiella pneumoniae | | 分子名称: | Metallo-beta-lactamase, SULFATE ION, ZINC ION | | 著者 | Kim, Y, Tesar, C, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-09-16 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 6 Klebsiella pneumoniae
To Be Published
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6MGY
 | | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 5 from Klebsiella pneumoniae | | 分子名称: | GLYCEROL, Metallo-beta-lactamase NDM-5, POTASSIUM ION, ... | | 著者 | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-09-16 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 5 from Klebsiella pneumoniae
To Be Published
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6MH0
 | | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 3 from Klebsiella pneumoniae | | 分子名称: | CHLORIDE ION, Metallo-beta-lactamase NDM-3, SULFATE ION, ... | | 著者 | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-09-16 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 3 from Klebsiella pneumoniae
To Be Published
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6F2N
 | | Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197 | | 分子名称: | (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | 著者 | McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J. | | 登録日 | 2017-11-24 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.149 Å) | | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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6EUM
 | | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | | 分子名称: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | 登録日 | 2017-10-30 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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6EW3
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F | | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J. | | 登録日 | 2017-11-03 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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6EWE
 | | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | | 分子名称: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | 登録日 | 2017-11-03 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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6C6I
 | | Crystal structure of a chimeric NDM-1 metallo-beta-lactamase harboring the IMP-1 L3 loop | | 分子名称: | Metallo-beta-lactamase type 2 chimera, ZINC ION | | 著者 | Otero, L, Giannini, E, Klinke, S, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A. | | 登録日 | 2018-01-18 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop.
Antimicrob. Agents Chemother., 63, 2019
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6CAC
 | | Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in L3 loop | | 分子名称: | CADMIUM ION, CALCIUM ION, COBALT (II) ION, ... | | 著者 | Alzari, P.M, Giannini, E, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A. | | 登録日 | 2018-01-30 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop.
Antimicrob. Agents Chemother., 63, 2019
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6BM9
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6HF5
 | | Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431 Inhibitor | | 分子名称: | 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | | 著者 | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | 登録日 | 2018-08-21 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
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6C89
 | | NDM-1 Beta-Lactamase Exhibits Differential Active Site Sequence Requirements for the Hydrolysis of Penicillin versus Carbapenem Antibiotics | | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Palzkill, T, Sun, Z, Sankaran, B. | | 登録日 | 2018-01-24 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75006151 Å) | | 主引用文献 | Differential active site requirements for NDM-1 beta-lactamase hydrolysis of carbapenem versus penicillin and cephalosporin antibiotics.
Nat Commun, 9, 2018
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5O2E
 | | Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement | | 分子名称: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | 登録日 | 2017-05-20 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-02-22 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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5O2F
 | | Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | | 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, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | 登録日 | 2017-05-20 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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6I1D
 | | Structure of the Ysh1-Mpe1 nuclease complex from S.cerevisiae | | 分子名称: | Endoribonuclease YSH1, GLYCEROL, Protein MPE1, ... | | 著者 | Hill, C.H, Boreikaite, V, Kumar, A, Casanal, A, Kubik, P, Degliesposti, G, Maslen, S, Mariani, A, von Loeffelholz, O, Girbig, M, Skehel, M, Passmore, L.A. | | 登録日 | 2018-10-28 | | 公開日 | 2019-02-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Activation of the Endonuclease that Defines mRNA 3' Ends Requires Incorporation into an 8-Subunit Core Cleavage and Polyadenylation Factor Complex.
Mol.Cell, 73, 2019
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5ZJC
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5ZJ7
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5ZIO
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5ZJ2
 | | Crystal structure of NDM-1 in complex with D-captopril | | 分子名称: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase type 2, ZINC ION | | 著者 | Zhang, H, Hao, Q. | | 登録日 | 2018-03-18 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
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5ZJ1
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5ZJ8
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