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8CUM
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BU of 8cum by Molmil
X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d
Descriptor: 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION
Authors:Fernando, M.C, Wallar, B.J, Powers, R.A.
Deposit date:2022-05-17
Release date:2023-04-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii
Antibiotics, 12, 2023
8CUL
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BU of 8cul by Molmil
Xray ray crystal structure of OXA-24/40 in complex with CR167
Descriptor: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase
Authors:Fernando, M.C, Wallar, B.J, Powers, R.A.
Deposit date:2022-05-17
Release date:2023-04-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii
Antibiotics, 12, 2023
8CUO
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BU of 8cuo by Molmil
X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e
Descriptor: 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION
Authors:Fernando, M.C, Wallar, B.J, Powers, R.A.
Deposit date:2022-05-17
Release date:2023-04-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii
Antibiotics, 12, 2023
3FYZ
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BU of 3fyz by Molmil
OXA-24 beta-lactamase complex with SA4-17 inhibitor
Descriptor: (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL
Authors:Romero, A, Santillana, E.
Deposit date:2009-01-23
Release date:2010-02-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
3FZC
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BU of 3fzc by Molmil
OXA-24 beta-lactamase complex with SA3-53 inhibitor
Descriptor: (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL
Authors:Romero, A, Santillana, E.
Deposit date:2009-01-24
Release date:2010-02-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
3G4P
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BU of 3g4p by Molmil
OXA-24 beta-lactamase at pH 7.5
Descriptor: Beta-lactamase OXA-24
Authors:Santillana, E, Romero, A.
Deposit date:2009-02-04
Release date:2010-02-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase
J.Am.Chem.Soc., 132, 2010
3HBR
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BU of 3hbr by Molmil
Crystal structure of OXA-48 beta-lactamase
Descriptor: 1,2-ETHANEDIOL, OXA-48
Authors:Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D.
Deposit date:2009-05-05
Release date:2009-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
3ISG
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BU of 3isg by Molmil
Structure of the class D beta-lactamase OXA-1 in complex with doripenem
Descriptor: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1
Authors:Powers, R.A.
Deposit date:2009-08-25
Release date:2009-12-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The 1.4 A crystal structure of the class D beta-lactamase OXA-1 complexed with doripenem.
Biochemistry, 48, 2009
3IF6
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BU of 3if6 by Molmil
Crystal structure of OXA-46 beta-lactamase from P. aeruginosa
Descriptor: 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ...
Authors:Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S.
Deposit date:2009-07-24
Release date:2010-03-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates
Antimicrob.Agents Chemother., 54, 2010
3LCE
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BU of 3lce by Molmil
Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic
Descriptor: (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid, Beta-lactamase OXA-10, GLYCEROL, ...
Authors:Gretes, M, Strynadka, N.C.J.
Deposit date:2010-01-10
Release date:2010-03-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cyclobutanone Analogues of beta-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-beta-Lactamases.
J.Am.Chem.Soc., 132, 2010
5HAR
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BU of 5har by Molmil
OXA-163 beta-lactamase - S70G mutant
Descriptor: ACETATE ION, Beta-lactamase, CHLORIDE ION
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5TG4
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BU of 5tg4 by Molmil
OXA-24/40 in Complex with Boronic Acid BA16
Descriptor: BICARBONATE ION, Beta-lactamase, D-Glyceraldehyde, ...
Authors:Powers, R.A, Werner, J.P, Mitchell, J.M.
Deposit date:2016-09-27
Release date:2017-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
5HFO
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BU of 5hfo by Molmil
CRYSTAL STRUCTURE OF OXA-232 BETA-LACTAMASE
Descriptor: Beta-lactamase, CHLORIDE ION, GLYCEROL, ...
Authors:Retailleau, P, Oueslati, S, Cisse, C, Nordmann, P, Naas, T, Iorga, B.
Deposit date:2016-01-07
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Role of Arginine 214 in the Substrate Specificity of OXA-48.
Antimicrob.Agents Chemother., 64, 2020
5TG6
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BU of 5tg6 by Molmil
OXA-24/40 in Complex with Boronic Acid BA4
Descriptor: BICARBONATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Powers, R.A, Werner, J.P, Mitchell, J.M.
Deposit date:2016-09-27
Release date:2017-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
5HAQ
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BU of 5haq by Molmil
OXa-48 beta-lactamase mutant - S70G
Descriptor: Beta-lactamase, CADMIUM ION, FORMIC ACID
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5TG5
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BU of 5tg5 by Molmil
OXA-24/40 in Complex with Boronic Acid BA8
Descriptor: BICARBONATE ION, Beta-lactamase, METHANETHIOL, ...
Authors:Powers, R.A, Werner, J.P, Mitchell, J.M.
Deposit date:2016-09-27
Release date:2017-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
5HAP
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BU of 5hap by Molmil
OXA-48 beta-lactamase - S70A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5TG7
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BU of 5tg7 by Molmil
OXA-24/40 in Complex with Boronic Acid BA3
Descriptor: (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid, BICARBONATE ION, Beta-lactamase, ...
Authors:Powers, R.A, Werner, J.P, Mitchell, J.M.
Deposit date:2016-09-27
Release date:2017-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
7DML
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BU of 7dml by Molmil
OXA-48 carbapenemase in complex with (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid
Descriptor: 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, Beta-lactamase
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2020-12-04
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Design and enantioselective synthesis of 3-(alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance
Chem.Commun.(Camb.), 57, 2021
4MLL
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BU of 4mll by Molmil
The 1.4 A structure of the class D beta-lactamase OXA-1 K70D complexed 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, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1, ...
Authors:June, C.M, Vallier, B.C, Bonomo, R.A, Leonard, D.A, Powers, R.A.
Deposit date:2013-09-06
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural Origins of Oxacillinase Specificity in Class D beta-Lactamases.
Antimicrob.Agents Chemother., 58, 2014
4MNR
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BU of 4mnr by Molmil
Crystal Structure of D,D-Transpeptidase Domain of Peptidoglycan Glycosyltransferase from Eggerthella lenta
Descriptor: ACETIC ACID, MAGNESIUM ION, Peptidoglycan glycosyltransferase
Authors:Kim, Y, Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-09-11
Release date:2013-09-25
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Crystal Structure of D,D-Transpeptidase Domain of Peptidoglycan Glycosyltransferase from Eggerthella lenta
To be Published
4N1X
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BU of 4n1x by Molmil
Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G
Descriptor: OPEN FORM - PENICILLIN G, Peptidoglycan glycosyltransferase
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2013-10-04
Release date:2013-10-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G
To be Published
5IY2
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BU of 5iy2 by Molmil
Structure of apo OXA-143 carbapenemase
Descriptor: Beta-lactamase OXA-143, GLYCEROL
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2016-03-23
Release date:2017-08-09
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The role of conserved surface hydrophobic residues in the carbapenemase activity of the class D beta-lactamases.
Acta Crystallogr D Struct Biol, 73, 2017
5VFD
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BU of 5vfd by Molmil
Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii
Descriptor: (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ...
Authors:Olivier, N.B, Lahiri, S.
Deposit date:2017-04-07
Release date:2017-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii.
Nat Microbiol, 2, 2017
4OH0
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BU of 4oh0 by Molmil
Crystal structure of OXA-58 carbapenemase
Descriptor: Beta-lactamase OXA-58, CHLORIDE ION
Authors:Smith, C.A, Antunes, N.T, Toth, M, Vakulenko, S.B.
Deposit date:2014-01-16
Release date:2014-02-26
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Carbapenemase OXA-58 from Acinetobacter baumannii.
Antimicrob.Agents Chemother., 58, 2014

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