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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
6T7L
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BU of 6t7l by Molmil
Crystal structure of AmpC from E.coli with Nacubactam (OP0595)
Descriptor: (2S,5R)-N-(2-aminoethoxy)-1-formyl-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:2019-10-22
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
6T35
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BU of 6t35 by Molmil
Crystal structure of AmpC from E.coli with Enmetazobactam (AAI-101)
Descriptor: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-10-10
Release date:2020-11-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
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
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
4OLG
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BU of 4olg by Molmil
Crystal structure of AmpC beta-lactamase in complex with covalently bound N-formyl 7-aminocephalosporanic acid
Descriptor: (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Shoichet, B.K, Barelier, S.
Deposit date:2014-01-23
Release date:2014-05-28
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
4OKP
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BU of 4okp by Molmil
Crystal structure of AmpC beta-lactamase in complex with the product form of 7-amino-desacetoxycephalosporanic acid
Descriptor: (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Barelier, S.B, Shoichet, B.K.
Deposit date:2014-01-22
Release date:2014-05-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
3SH9
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BU of 3sh9 by Molmil
Crystal structure of fluorophore-labeled beta-lactamase PenP in complex with cefotaxime
Descriptor: 1-[6-(dimethylamino)naphthalen-2-yl]ethanone, Beta-lactamase, CEFOTAXIME, ...
Authors:Wong, W.-T, Zhao, Y.-X, Leung, Y.-C.
Deposit date:2011-06-16
Release date:2011-07-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increased structural flexibility at the active site of a fluorophore-conjugated beta-lactamase distinctively impacts its binding toward diverse cephalosporin antibiotics
J.Biol.Chem., 286, 2011
4OLD
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BU of 4old by Molmil
Crystal structure of AmpC beta-lactamase in complex with the product form of (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Descriptor: (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Shoichet, B.K, Barelier, S.
Deposit date:2014-01-23
Release date:2014-05-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
4OOY
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BU of 4ooy by Molmil
Avibactam and class C beta-lactamases: mechanism of inhibition, conservation of binding pocket and implications for resistance
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Lahiri, S.D, Olivier, N.B, Alm, R.A.
Deposit date:2014-02-04
Release date:2014-08-20
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Avibactam and Class C beta-Lactamases: Mechanism of Inhibition, Conservation of the Binding Pocket, and Implications for Resistance.
Antimicrob.Agents Chemother., 58, 2014
3SH8
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BU of 3sh8 by Molmil
Crystal structure of fluorophore-labeled beta-lactamase PenP in complex with cephaloridine
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Wong, W.-T, Zhao, Y.-X, Leung, Y.-C.
Deposit date:2011-06-16
Release date:2011-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increased structural flexibility at the active site of a fluorophore-conjugated beta-lactamase distinctively impacts its binding toward diverse cephalosporin antibiotics
J.Biol.Chem., 286, 2011
3SOI
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BU of 3soi by Molmil
Crystallographic structure of Bacillus licheniformis beta-lactamase W210F/W229F/W251F at 1.73 angstrom resolution
Descriptor: Beta-lactamase, CITRIC ACID
Authors:Acierno, J.P, Capaldi, S, Risso, V.A, Monaco, H.L, Ermacora, M.R.
Deposit date:2011-06-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis beta-lactamase.
Protein Sci., 21, 2012
4N9L
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BU of 4n9l by Molmil
crystal structure of beta-lactamse PenP_E166S in complex with meropenem
Descriptor: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase
Authors:Pan, X, Wong, W, Zhao, Y.
Deposit date:2013-10-21
Release date:2014-09-10
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
3S1Y
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BU of 3s1y by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with a beta-lactamase inhibitor
Descriptor: Beta-lactamase, CHLORIDE ION, ISOPROPYL ALCOHOL, ...
Authors:Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
Deposit date:2011-05-16
Release date:2011-06-29
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
3S4X
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BU of 3s4x by Molmil
Crystal structure of the Asn152Gly mutant of P99 beta-lactamase
Descriptor: Beta-lactamase, SULFATE ION
Authors:Ruble, J.F, Powers, R.A.
Deposit date:2011-05-20
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of the Asn152Gly mutant of P99 cephalosporinase.
Acta Crystallogr.,Sect.D, 68, 2012
3VWR
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BU of 3vwr by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187G/H266N/D370Y mutant complexd with 6-aminohexanoate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
Authors:Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
Deposit date:2012-08-30
Release date:2013-10-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
3VWM
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BU of 3vwm by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187A/H266N/D370Y mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
Authors:Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
Deposit date:2012-08-30
Release date:2013-10-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
3TG9
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BU of 3tg9 by Molmil
The crystal structure of penicillin binding protein from Bacillus halodurans
Descriptor: Penicillin-binding protein
Authors:Zhang, Z, Satyanarayana, L, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-08-17
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of penicillin binding protein from Bacillus halodurans
To be Published
3VWQ
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BU of 3vwq by Molmil
6-aminohexanoate-dimer hydrolase S112A/G181D/R187A/H266N/D370Y mutant complexd with 6-aminohexanoate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
Authors:Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
Deposit date:2012-08-30
Release date:2013-10-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
to be published
4N9K
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BU of 4n9k by Molmil
crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Wong, W, Zhao, Y.
Deposit date:2013-10-21
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4NET
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BU of 4net by Molmil
Crystal structure of ADC-1 beta-lactamase
Descriptor: AmpC, GLYCEROL, NITRATE ION
Authors:Bhattacharya, M, Toth, M, Antunes, N.T, Smith, C.A, Vakulenko, S.B.
Deposit date:2013-10-30
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of the extended-spectrum class C beta-lactamase ADC-1 from Acinetobacter baumannii.
Acta Crystallogr.,Sect.D, 70, 2014
4NK3
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BU of 4nk3 by Molmil
Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
Deposit date:2013-11-12
Release date:2014-02-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
3VWL
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BU of 3vwl by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
Authors:Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
Deposit date:2012-08-30
Release date:2013-10-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
3VWP
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BU of 3vwp by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187S/H266N/D370Y mutant complexd with 6-aminohexanoate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
Authors:Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
Deposit date:2012-08-30
Release date:2013-10-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
to be published
3VWN
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BU of 3vwn by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/H266N/D370Y mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
Authors:Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
Deposit date:2012-08-30
Release date:2013-10-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published

221716

건을2024-06-26부터공개중

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