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6N9R
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BU of 6n9r by Molmil
Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus bound to substrate 3-oxo-C12-AHL
分子名称: 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ...
著者Bergonzi, C, Schwab, M, Elias, M.
登録日2018-12-03
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Chembiochem, 20, 2019
6N9I
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BU of 6n9i by Molmil
Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus - free
分子名称: 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ...
著者Bergonzi, C, Schwab, M, Elias, M.
登録日2018-12-03
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Chembiochem, 20, 2019
6N9Q
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BU of 6n9q by Molmil
Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus bind to substrate C4-AHL
分子名称: 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ...
著者Bergonzi, C, Schwab, M, Elias, M.
登録日2018-12-03
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Chembiochem, 20, 2019
6EFJ
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BU of 6efj by Molmil
Crystal structure of NDM-1 with compound 9
分子名称: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION
著者Akhtar, A, Chen, Y.
登録日2018-08-16
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MDU
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BU of 6mdu by Molmil
Crystal structure of NDM-1 with compound 7
分子名称: 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, GLYCEROL, Metallo-beta-lactamase type 2, ...
著者Akhtar, A, Chen, Y.
登録日2018-09-05
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6D1D
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BU of 6d1d by Molmil
Crystal structure of NDM-1 complexed with compound 6
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.4 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1I
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BU of 6d1i by Molmil
Crystal structure of NDM-1 complexed with compound 12
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.1 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1F
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BU of 6d1f by Molmil
Crystal structure of NDM-1 complexed with compound 8
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1E
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BU of 6d1e by Molmil
Crystal structure of NDM-1 complexed with compound 7
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1K
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BU of 6d1k by Molmil
Crystal structure of NDM-1 complexed with compound 14
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.2 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1B
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BU of 6d1b by Molmil
Crystal structure of NDM-1 complexed with compound 2
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.25 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1H
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BU of 6d1h by Molmil
Crystal structure of NDM-1 complexed with compound 11
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.25 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1C
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BU of 6d1c by Molmil
Crystal structure of NDM-1 complexed with compound 3
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.25 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1G
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BU of 6d1g by Molmil
Crystal structure of NDM-1 complexed with compound 9
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1J
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BU of 6d1j by Molmil
Crystal structure of NDM-1 complexed with compound 13
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1A
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BU of 6d1a by Molmil
Crystal structure of NDM-1 complexed with compound 1
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
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 (1.25 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6Q30
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BU of 6q30 by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 5
分子名称: (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide, CALCIUM ION, Metallo-beta-lactamase type 2, ...
著者Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
登録日2018-12-03
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 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
6Q2Y
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BU of 6q2y by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Metallo-beta-lactamase type 2, ...
著者Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
登録日2018-12-03
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 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
5ZR8
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BU of 5zr8 by Molmil
Crystal Structure Of NDM-1 Metallo-beta-lactamase
分子名称: Beta-lactamase, SULFATE ION, ZINC ION
著者Wachino, J.
登録日2018-04-23
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure Of NDM-1 Metallo-beta-lactamase
To Be Published
6IBS
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BU of 6ibs by Molmil
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
6DD1
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BU of 6dd1 by Molmil
Crystal structure of VIM-2 complexed with compound 14
分子名称: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-05-08
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6DD0
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BU of 6dd0 by Molmil
Crystal structure of VIM-2 complexed with compound 8
分子名称: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-05-08
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6IBV
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BU of 6ibv by Molmil
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
6DJA
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BU of 6dja by Molmil
ZN-DEPENDENT 5/B/6 METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS
分子名称: Metallo-beta-lactamase type 2, ZINC ION
著者Bui, A.A, Khan, N.H, Shaw, R.W, Sutton, R.B.
登録日2018-05-24
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献A DNA aptamer reveals an allosteric site for inhibition in metallo-beta-lactamases.
Plos One, 14, 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

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