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6V1J
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BU of 6v1j by Molmil
Structure of KPC-2 bound to QPX7728 at 1.30 A
Descriptor: (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-11-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
4JPM
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BU of 4jpm by Molmil
Structure of SHV-1 beta-lactamase in complex with the 7-alkylidenecephalosporin DCM-1-10 at 1.14 Ang resolution
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-alkylidenecephalosporin DCM-1-10, bound form, ...
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2013-03-19
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:beta-Lactamase Inhibition by 7-Alkylidenecephalosporin Sulfones: Allylic Transposition and Formation of an Unprecedented Stabilized Acyl-Enzyme.
J.Am.Chem.Soc., 135, 2013
6V7T
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BU of 6v7t by Molmil
Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-09
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6VHS
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BU of 6vhs by Molmil
Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317
Descriptor: (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION
Authors:Sacco, M.D, Chen, Y.
Deposit date:2020-01-10
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases.
J.Med.Chem., 63, 2020
4JLF
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BU of 4jlf by Molmil
Inhibitor resistant (R220A) substitution in the Mycobacterium tuberculosis beta-lactamase
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Hazra, S, Kurz, S, Blanchard, J, Bonomo, R.
Deposit date:2013-03-12
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Can inhibitor-resistant substitutions in the Mycobacterium tuberculosis beta-Lactamase BlaC lead to clavulanate resistance?: a biochemical rationale for the use of beta-lactam-beta-lactamase inhibitor combinations.
Antimicrob.Agents Chemother., 57, 2013
6UNB
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BU of 6unb by Molmil
Crystal structure of CTX-M-14 in complex with temocillin
Descriptor: (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Sacco, M, Chen, Y.
Deposit date:2019-10-11
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
6W34
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BU of 6w34 by Molmil
Crystal Structure of Class A Beta-lactamase from Bacillus cereus
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
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 (1.45 Å)
Cite:Crystal Structure of Class A Beta-lactamase from Bacillus cereus
To Be Published
6W33
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BU of 6w33 by Molmil
Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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 (1.85 Å)
Cite:Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate
To Be Published
6VNU
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BU of 6vnu by Molmil
X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ...
Authors:Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
Deposit date:2020-01-29
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Metallocenyl 7-ACA Conjugates: Antibacterial Activity Studies and Atomic-Resolution X-ray Crystal Structure with CTX-M beta-Lactamase.
Chembiochem, 21, 2020
6V7I
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BU of 6v7i by Molmil
Structure of KPC-2 bound to Vaborbactam at 1.25 A
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-12-08
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
6V5E
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BU of 6v5e by Molmil
Crystal structure of CTX-M-14 P167S/D240G beta-lactamase
Descriptor: Beta-lactamase
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-04
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6WJM
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BU of 6wjm by Molmil
The crystal structure beta-lactamase from Desulfarculus baarsii DSM 2075
Descriptor: ALANINE, Beta-lactamase, CITRIC ACID
Authors:Chang, C, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-14
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:The crystal structure beta-lactamase from Desulfarculus baarsii DSM 2075
To Be Published
4ID4
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BU of 4id4 by Molmil
Crystal structure of chimeric beta-lactamase cTEM-17m
Descriptor: Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ...
Authors:Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
Deposit date:2012-12-11
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Maintenance of Native-like Protein Dynamics May Not Be Required for Engineering Functional Proteins.
Chem.Biol., 21, 2014
4IBX
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BU of 4ibx by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, CALCIUM ION, ...
Authors:Dellus-Gur, E, Toth-Petroczy, A, Elias, M, Tawfik, D.S.
Deposit date:2012-12-09
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:What Makes a Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-offs.
J.Mol.Biol., 425, 2013
4LEN
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BU of 4len by Molmil
CTX-M-9 in complex with the broad spectrum inhibitor 3-(2- carboxyvinyl)benzo(b)thiophene-2-boronic acid
Descriptor: (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid, Beta-lactamase
Authors:Tondi, D.
Deposit date:2013-06-26
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Targeting Class A and C Serine beta-Lactamases with a Broad-Spectrum Boronic Acid Derivative.
J.Med.Chem., 57, 2014
4MBH
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BU of 4mbh by Molmil
Penam sulfone PSR-3-226 bound to E166A variant of SHV-1 beta-lactamase
Descriptor: 3-(formylamino)-L-alanine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ...
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2013-08-19
Release date:2014-07-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Penam sulfones and beta-lactamase inhibition: SA2-13 and the importance of the C2 side chain length and composition.
Plos One, 9, 2014
1KGF
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BU of 1kgf by Molmil
STRUCTURE OF BETA-LACTAMASE ASN 170 GLN MUTANT
Descriptor: BETA-LACTAMASE
Authors:Chen, C.C.H, Zawadzke, L.E, Herzberg, O.
Deposit date:1996-10-17
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Elimination of the hydrolytic water molecule in a class A beta-lactamase mutant: crystal structure and kinetics.
Biochemistry, 35, 1996
1KGE
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BU of 1kge by Molmil
STRUCTURE OF BETA-LACTAMASE ASN 170 MET MUTANT
Descriptor: BETA-LACTAMASE
Authors:Chen, C.C.H, Zawadzke, L.E, Herzberg, O.
Deposit date:1996-10-17
Release date:1997-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Elimination of the hydrolytic water molecule in a class A beta-lactamase mutant: crystal structure and kinetics.
Biochemistry, 35, 1996
1LI9
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BU of 1li9 by Molmil
Crystal structure of TEM-34 beta-Lactamase at 1.5 Angstrom
Descriptor: Class A beta-Lactamase- TEM-34, PHOSPHATE ION, POTASSIUM ION
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2002-04-17
Release date:2002-09-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
1N4O
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BU of 1n4o by Molmil
Crystal structure of the Class A beta-lactamase L2 from Stenotrophomonas maltophilia
Descriptor: L2 beta-lactamase, SULFATE ION
Authors:Pernot, L, Petrella, S, Sougakoff, W.
Deposit date:2002-11-01
Release date:2003-11-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Role of the disulfide bridge Cys69-Cys238 in class A b-lactamases : a structural and biochemical investigation on the b-lactamase L2 from Stenotrophomonas maltophilia
To be Published
1LI0
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BU of 1li0 by Molmil
Crystal structure of TEM-32 beta-Lactamase at 1.6 Angstrom
Descriptor: BICARBONATE ION, Class A beta-Lactamase- TEM-32, POTASSIUM ION
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2002-04-17
Release date:2002-09-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
1LHY
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BU of 1lhy by Molmil
Crystal structure of TEM-30 beta-Lactamase at 2.0 Angstrom
Descriptor: Class A beta-Lactamase- TEM 30, PHOSPHATE ION
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2002-04-17
Release date:2002-09-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
1NXY
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BU of 1nxy by Molmil
Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2)
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION
Authors:Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
Deposit date:2003-02-11
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
1M40
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BU of 1m40 by Molmil
ULTRA HIGH RESOLUTION CRYSTAL STRUCTURE OF TEM-1
Descriptor: BETA-LACTAMASE TEM, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ...
Authors:Minasov, G, Wang, X, Shoichet, B.K.
Deposit date:2002-07-01
Release date:2002-07-17
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation.
J.Am.Chem.Soc., 124, 2002
1NYM
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BU of 1nym by Molmil
Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (CXB)
Descriptor: Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
Deposit date:2003-02-12
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Recognition and resistance in TEM beta-lactamase
Biochemistry, 42, 2003

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