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6J8R
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Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.575 Å)
主引用文献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
6JED
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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
6NY7
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Crystal Structure of NDM-1 D199N with Compound 16
分子名称: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
著者Akhtar, A, Chen, Y.
登録日2019-02-11
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6O3R
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Crystal Structure of NDM-1 D199N with Compound 7
分子名称: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Akhtar, A, Chen, Y.
登録日2019-02-27
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6JKA
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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
6JKB
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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
6O5T
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Crystal Structure of VIM-2 with Compound 16
分子名称: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
著者Akhtar, A, Chen, Y.
登録日2019-03-04
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6JN6
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Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献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
6OGO
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BU of 6ogo by Molmil
Crystal structure of NDM-9 metallo-beta-lactamase
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Raczynska, J.E, Imiolczyk, B, Jaskolski, M.
登録日2019-04-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates.
Int.J.Biol.Macromol., 158, 2020
6JV4
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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
6OL8
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BU of 6ol8 by Molmil
Crystal structure of NDM-12 metallo-beta-lactamase 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, CHLORIDE ION, Metallo-beta-lactamase NDM-12, ...
著者Raczynska, J.E, Imiolczyk, B, Jaskolski, M.
登録日2019-04-16
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates.
Int.J.Biol.Macromol., 158, 2020
6OP6
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Structure of VIM-20 in the reduced state
分子名称: Metallo-beta-lactamase VIM-20, SODIUM ION, ZINC ION
著者Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C.
登録日2019-04-24
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019
6OP7
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Structure of oxidized VIM-20
分子名称: ACETATE ION, Metallo-beta-lactamase VIM-20, ZINC ION
著者Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C.
登録日2019-04-24
公開日2019-10-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019
6RMF
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BU of 6rmf by Molmil
Crystal structure of NDM-1 with VNRX-5133
分子名称: (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ...
著者Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J.
登録日2019-05-06
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
6OVZ
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BU of 6ovz by Molmil
Crystal structure of the New Delhi metallo-beta-lactamase-1 adduct with a lysine-targeted affinity label
分子名称: Beta-lactamase, CALCIUM ION, ZINC ION, ...
著者Monzingo, A.F, Fast, W, Thomas, P.W.
登録日2019-05-08
公開日2019-06-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.017 Å)
主引用文献A Lysine-Targeted Affinity Label for Serine-beta-Lactamase Also Covalently Modifies New Delhi Metallo-beta-lactamase-1 (NDM-1).
Biochemistry, 58, 2019
6RPN
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Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308.
分子名称: (3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, Beta-lactamase VIM-2, ...
著者Parkova, A, Lucic, A, Brem, J, McDonough, M.A, Langley, G.W, Schofield, C.J.
登録日2019-05-14
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.409 Å)
主引用文献Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate.
Acs Infect Dis., 6, 2020
6K4T
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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
6K4X
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BU of 6k4x by Molmil
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
6K6S
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BU of 6k6s by Molmil
Structure of RNase J1 from Staphylococcus epidermidis
分子名称: MANGANESE (II) ION, Ribonuclease J 1
著者Raj, R, Gopal, B.
登録日2019-06-04
公開日2020-10-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.993 Å)
主引用文献Structure of RNase J1 from Staphylococcus epidermidis
J.Biol.Chem., 2020
6K6W
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BU of 6k6w by Molmil
Structure of RNase J2 from Staphylococcus epidermidis
分子名称: MANGANESE (II) ION, Ribonuclease J 2
著者Raj, R, Gopal, B.
登録日2019-06-05
公開日2020-10-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of RNase J1 from Staphylococcus epidermidis
J.Biol.Chem., 2020
6RZ0
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BU of 6rz0 by Molmil
Crystal structure of Escherichia coli Glyoxalase II
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Skorupskaite, A, McDonough, M.A, Schofield, C.J.
登録日2019-06-12
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of Escherichia coli Glyoxalase II
To Be Published
6S0I
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Crystal structure of Escherichia coli Glyoxalase II with L-Tartrate in the active site
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hydroxyacylglutathione hydrolase GloB, L(+)-TARTARIC ACID, ...
著者Skorupskaite, A, McDonough, M.A, Schofield, C.J.
登録日2019-06-14
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Crystal structure of Escherichia coli Glyoxalase II
To Be Published
6KNT
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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
6KNS
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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
6U10
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Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the complex with the inhibitor captopril
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, L-CAPTOPRIL, ...
著者Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-08-15
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the complex with the inhibitor captopril.
To Be Published

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件を2024-06-12に公開中

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