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5HIS
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BU of 5his by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophene-2-carboxylic acid
分子名称: 3-methylthiophene-2-carboxylic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
4O98
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BU of 4o98 by Molmil
Crystal structure of Pseudomonas oleovorans PoOPH mutant H250I/I263W
分子名称: ZINC ION, organophosphorus hydrolase
著者Luo, X.J, Kong, X.D, Zhao, J, Chen, Q, Zhou, J.H, Xu, J.H.
登録日2014-01-02
公開日2014-12-03
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Switching a newly discovered lactonase into an efficient and thermostable phosphotriesterase by simple double mutations His250Ile/Ile263Trp
Biotechnol.Bioeng., 111, 2014
4P62
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BU of 4p62 by Molmil
Directed evolution of a B3 metallo-beta-lactamase AIM-1
分子名称: 1,2-ETHANEDIOL, Metallo-beta-lactamase AIM-1, ZINC ION
著者Hou, C.-F.D, Collyer, C, Ollis, D.L.
登録日2014-03-21
公開日2015-05-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Directed evolution of a B3 metallo-beta-lactamase AIM-1
To Be Published
5HIO
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BU of 5hio by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
分子名称: 3-(2-aminophenyl)-3-oxopropanoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
5HIP
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BU of 5hip by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(pyridin-3-yl)benzoic acid
分子名称: 2-(pyridin-3-yl)benzoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
4NQ6
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BU of 4nq6 by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound L-CS319
分子名称: (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ...
著者Gonzalez, J.M, Gonzalez, M.M, Vila, A.J.
登録日2013-11-23
公開日2014-11-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7WZU
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BU of 7wzu by Molmil
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
3KNR
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BU of 3knr by Molmil
Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 1 mM Zn(II)
分子名称: ACETIC ACID, Beta-lactamase 2, GLYCEROL, ...
著者Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J.
登録日2009-11-12
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions.
Nat.Chem.Biol., 8, 2012
7YRP
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BU of 7yrp by Molmil
Crystal structure of VIM-28 metallo-beta-lactamase
分子名称: CITRATE ANION, GLYCEROL, Metallo-beta-lactamase VIM-28, ...
著者Shimizu-Ibuka, A, Sato, H.
登録日2022-08-10
公開日2023-06-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of VIM-28 metallo-beta-lactamase
To Be Published
4NQ2
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BU of 4nq2 by Molmil
Structure of Zn(II)-bound metallo-beta-lactamse VIM-2 from Pseudomonas aeruginosa
分子名称: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION
著者Aitha, M, Nix, J.C, Crowder, M.W, Page, R.C.
登録日2013-11-23
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Biochemical, Mechanistic, and Spectroscopic Characterization of Metallo-beta-lactamase VIM-2.
Biochemistry, 53, 2014
4NQ5
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BU of 4nq5 by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound CS319
分子名称: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ...
著者Gonzalez, J.M, Gonzalez, M.M, Vila, A.J.
登録日2013-11-23
公開日2014-11-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Inhibition of metallo-lactamases with bicyclic compounds
TO BE PUBLISHED
3IOG
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BU of 3iog by Molmil
Crystal structure of CphA N220G mutant with inhibitor 18
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION, ...
著者Delbruck, H, Bebrone, C, Hoffmann, K.M.V.
登録日2009-08-14
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-beta-lactamases
J.Med.Chem., 53, 2010
3IOF
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BU of 3iof by Molmil
Crystal structure of CphA N220G mutant with inhibitor 10a
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION, ...
著者Delbruck, H, Bebrone, C, Hoffmann, K.M.V.
登録日2009-08-14
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-beta-lactamases
J.Med.Chem., 53, 2010
4PVT
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BU of 4pvt by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-03-18
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
4PVO
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BU of 4pvo by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ...
著者Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-03-18
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
5WCM
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BU of 5wcm by Molmil
Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement
分子名称: 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION
著者Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S.
登録日2017-06-30
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob. Agents Chemother., 54, 2010
5WIG
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BU of 5wig by Molmil
Structure of New Delhi Metallo-Beta-lactamase 4 (NDM-4)
分子名称: NDM-4, ZINC ION
著者VanPelt, J, Williams, C, Page, R.C.
登録日2017-07-19
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Clinical Variants of New Delhi Metallo-beta-Lactamase Are Evolving To Overcome Zinc Scarcity.
Acs Infect Dis., 3, 2017
8GPD
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BU of 8gpd by Molmil
Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin V
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ...
著者Shi, X, Dai, Y, Zhang, Q, Liu, W.
登録日2022-08-26
公開日2023-08-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
8GPC
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BU of 8gpc by Molmil
Crystal structure of NDM-1 at pH5.5 (Succinate) 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 NDM-1, SODIUM ION, ...
著者Shi, X, Dai, Y, Zhang, Q, Liu, W.
登録日2022-08-26
公開日2023-08-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
8GPE
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BU of 8gpe by Molmil
Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin G
分子名称: (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ...
著者Shi, X, Dai, Y, Zhang, Q, Liu, W.
登録日2022-08-26
公開日2023-08-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
5W8W
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BU of 5w8w by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement
分子名称: Metallo-beta-lactamase type 2, SULFATE ION, UNKNOWN ATOM OR ION, ...
著者Gonzalez, J.M, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Wlodawer, A, Gonzalez, M.M, Vila, A.J.
登録日2017-06-22
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
5W90
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BU of 5w90 by Molmil
FEZ-1 metallo-beta-lactamase from Legionella gormanii modelled with unknown ligand
分子名称: FEZ-1 protein, GLYCEROL, SULFATE ION, ...
著者Garcia-Saez, I, Mercuri, P.S, Kahn, R, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Papamicael, C, Frere, J.M, Galleni, M, Dideberg, O.
登録日2017-06-22
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril.
J. Mol. Biol., 325, 2003
5WIH
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BU of 5wih by Molmil
Structure of New Delhi Metallo-Beta-lactamase 12 (NDM-12)
分子名称: Metallo-beta-lactamase NDM-12, ZINC ION
著者VanPelt, J, Williams, C, Page, R.C.
登録日2017-07-19
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Clinical Variants of New Delhi Metallo-beta-Lactamase Are Evolving To Overcome Zinc Scarcity.
Acs Infect Dis., 3, 2017
8HXP
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BU of 8hxp by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(but-3-en-1-yl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-05
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXE
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BU of 8hxe by Molmil
Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-propylbenzyl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Metallo-beta-lactamase L1 type 3, THIOCYANATE ION, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-04
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023

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件を2024-06-19に公開中

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