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3WS4
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BU of 3ws4 by Molmil
N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-2A)
Descriptor: Beta-lactamase, CHLORIDE ION, STRONTIUM ION
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-28
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
3WRT
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BU of 3wrt by Molmil
Wild type beta-lactamase DERIVED FROM CHROMOHALOBACTER SP.560
Descriptor: Beta-lactamase
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
3WS2
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BU of 3ws2 by Molmil
N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-1C)
Descriptor: Beta-lactamase, CALCIUM ION, CESIUM ION
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
6TPM
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BU of 6tpm by Molmil
Crystal structure of AmpC from E.coli with Relebactam (MK-7655)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-12-13
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
6TZH
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BU of 6tzh by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S06015
Descriptor: Beta-lactamase, GLYCINE, PHOSPHATE ION, ...
Authors:Fish, E.R, Powers, R.A, Wallar, B.J.
Deposit date:2019-08-12
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
6TZJ
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BU of 6tzj by Molmil
ADC-7 in complex with boronic acid transition state inhibitor ME_096
Descriptor: Beta-lactamase, GLYCINE, [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
Authors:Fish, E.R, Powers, R.A, Wallar, B.J.
Deposit date:2019-08-12
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
6TZF
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ADC-7 in complex with boronic acid transition state inhibitor S17079
Descriptor: 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid, Beta-lactamase
Authors:Fish, E.R, Powers, R.A, Wallar, B.J.
Deposit date:2019-08-12
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
6TZI
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BU of 6tzi by Molmil
ADC-7 in complex with boronic acid transition state inhibitor PFC_001
Descriptor: Beta-lactamase, phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
Authors:Fish, E.R, Powers, R.A, Wallar, B.J.
Deposit date:2019-08-12
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.744 Å)
Cite:1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
6TZG
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BU of 6tzg by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S17083
Descriptor: Beta-lactamase, [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
Authors:Fish, E.R, Powers, R.A, Wallar, B.J.
Deposit date:2019-08-12
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
4IVK
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BU of 4ivk by Molmil
Crystal structure of a fammily VIII carboxylesterase in a complex with cephalothin.
Descriptor: CEPHALOTHIN GROUP, Carboxylesterases, SULFATE ION
Authors:An, Y.J, Kim, M.-K, Jeong, C.-S, Cha, S.-S.
Deposit date:2013-01-23
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the beta-lactamase activity of EstU1, a family VIII carboxylesterase.
Proteins, 81, 2013
4IVI
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BU of 4ivi by Molmil
Crystal structure of a family VIII carboxylesterase.
Descriptor: Carboxylesterase, SULFATE ION
Authors:An, Y.J, Kim, M.-K, Jeong, C.-S, Cha, S.-S.
Deposit date:2013-01-23
Release date:2013-06-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the beta-lactamase activity of EstU1, a family VIII carboxylesterase.
Proteins, 81, 2013
6UQT
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BU of 6uqt by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6UQU
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BU of 6uqu by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: Beta-lactamase, CHLORIDE ION, PHENYL BORONIC ACID
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.0902 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6UR3
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BU of 6ur3 by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, ...
Authors:Scapin, G.
Deposit date:2019-10-22
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
4JXV
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BU of 4jxv by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[2-(4-CARBOXYPHENYL)ETHYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 5)
Descriptor: 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Hendershot, J.M.
Deposit date:2013-03-28
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
4JXS
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BU of 4jxs by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-[(4-CARBOXYBENZYL)SULFAMOYL]THIOPHENE-2-CARBOXYLIC ACID (compound 4)
Descriptor: 3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Hendershot, J.M.
Deposit date:2013-03-28
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
6W2Z
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BU of 6w2z by Molmil
Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the Complex with the Non-beta- lactam Beta-lactamase Inhibitor Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-08
Release date:2020-03-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the Complex with the Non-beta- lactam Beta-lactamase Inhibitor Avibactam
To Be Published
4KEN
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BU of 4ken by Molmil
Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefoxitin
Descriptor: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
Deposit date:2013-04-25
Release date:2014-10-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Complexed structures of AmpC beta-lactamase
To be Published
4KG5
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BU of 4kg5 by Molmil
Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefotaxime
Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
Authors:Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
Deposit date:2013-04-28
Release date:2014-10-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Complexed structures of AmpC beta-lactamase
To be Published
4JXG
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BU of 4jxg by Molmil
Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Oxacillin
Descriptor: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Beta-lactamase, PHOSPHATE ION, ...
Authors:Wallar, B.J, Powers, R.A, Docter, B.E.
Deposit date:2013-03-28
Release date:2014-10-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Complexed structures of AmpC beta-lactamase
To be Published
4KG6
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BU of 4kg6 by Molmil
Crystal Structure of AmpC beta-lactamase N152G Mutant from E. coli
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
Deposit date:2013-04-28
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Complexed structures of AmpC beta-lactamase
To be Published
4KG2
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BU of 4kg2 by Molmil
Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime
Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
Authors:Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
Deposit date:2013-04-28
Release date:2014-10-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Complexed structures of AmpC beta-lactamase
To be Published
6UQS
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BU of 6uqs by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
4KZ6
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BU of 4kz6 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid)
Descriptor: (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZA
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BU of 4kza by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid)
Descriptor: 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014

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數據於2024-09-11公開中

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