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7KCY
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BU of 7kcy by Molmil
Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) 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, GLYCEROL, Penicillin-binding protein 4, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2020-10-07
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
4D2O
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BU of 4d2o by Molmil
Crystal structure of the class A extended-spectrum beta-lactamase PER- 2
Descriptor: PER-2 BETA-LACTAMASE
Authors:Power, P, Herman, R, Ruggiero, M, Kerff, F, Galleni, M, Gutkind, G, Charlier, P, Sauvage, E.
Deposit date:2014-05-12
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Extended-Spectrum Beta-Lactamase Per- 2 and Insights Into the Role of Specific Residues in the Interaction with Beta-Lactams and Beta-Lactamase Inhibitors.
Antimicrob.Agents Chemother., 58, 2014
4DDS
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BU of 4dds by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11
Descriptor: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
Authors:Nichols, D.A, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE0
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BU of 4de0 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 16
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
Authors:Nichols, D.N, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
6Q35
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BU of 6q35 by Molmil
Crystal structure of GES-5 beta-lactamase in complex with boronic inhibitor cpd 3
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6QWB
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BU of 6qwb by Molmil
Crystal structure of KPC-4 complexed with relebactam (16 hour soak)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Beta-lactamase, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWD
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BU of 6qwd by Molmil
Crystal structure of KPC-3
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWA
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BU of 6qwa by Molmil
Crystal structure of KPC-3 complexed with relebactam (16 hour soak)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Beta-lactamase, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QW8
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BU of 6qw8 by Molmil
Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWE
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BU of 6qwe by Molmil
Crystal structure of KPC-4
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWC
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BU of 6qwc by Molmil
Crystal structure of KPC-4 complexed with relebactam (1 hour soak)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QW7
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BU of 6qw7 by Molmil
Crystal structure of L2 complexed with relebactam (16 hour soak)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, D-SERINE
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QW9
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BU of 6qw9 by Molmil
Crystal structure of KPC-2 complexed with relebactam (16 hour soak)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6SP6
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BU of 6sp6 by Molmil
Ultra-high Resolution Crystal Structure of the CTX-M-15 Extended-Spectrum beta-Lactamase in Complex with Taniborbactam (VNRX-5133)
Descriptor: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
Deposit date:2019-08-31
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
5HW5
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BU of 5hw5 by Molmil
Crystal structure of TEM1 beta-lactamase in the presence of 2.0 MPa xenon
Descriptor: Beta-lactamase TEM, XENON
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-01-28
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure of TEM1 beta-lactamase
To Be Published
5HX9
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BU of 5hx9 by Molmil
Crystal structure of Beta-lactamase from Burkholderia vietnamiensis
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-01-29
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Beta-lactamase from Burkholderia vietnamiensis
to be published
5HVI
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BU of 5hvi by Molmil
Crystal structure of TEM1 beta-lactamase
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-01-28
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
5HW1
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BU of 5hw1 by Molmil
Crystal structure of TEM1 beta-lactamase in the presence of 1.2 MPa xenon
Descriptor: Beta-lactamase TEM, XENON
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-01-28
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
5IQ8
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BU of 5iq8 by Molmil
Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-03-10
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure of TEM1 beta-lactamase
To Be Published
5I52
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BU of 5i52 by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263N
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-02-13
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
5I63
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BU of 5i63 by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263N in the presence of 1.2 MPa xenon
Descriptor: Beta-lactamase TEM, XENON
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-02-15
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
5IHV
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BU of 5ihv by Molmil
Crystal structure of a beta-lactamase from Burkholderia ambifaria
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-29
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of a beta-lactamase from Burkholderia ambifaria
to be published
5HW3
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BU of 5hw3 by Molmil
Crystal structure of a beta lactamase from Burkholderia vietnamiensis
Descriptor: ACETATE ION, Beta-lactamase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-01-29
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a beta lactamase from Burkholderia vietnamiensis
to be published
2OV5
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BU of 2ov5 by Molmil
Crystal structure of the KPC-2 carbapenemase
Descriptor: BICINE, Carbapenemase
Authors:Ke, W, Bethel, C.R, Thomson, J.M, Bonomo, R.A, van den Akker, F.
Deposit date:2007-02-13
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of KPC-2: Insights into Carbapenemase Activity in Class A beta-Lactamases.
Biochemistry, 46, 2007
4ZJ1
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BU of 4zj1 by Molmil
Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, DI(HYDROXYETHYL)ETHER, ...
Authors:Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G.
Deposit date:2015-04-28
Release date:2015-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Exploring the potential impact of an expanded genetic code on protein function.
Proc.Natl.Acad.Sci.USA, 112, 2015

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