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6AFP
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BU of 6afp by Molmil
Crystal structure of class A b-lactamase, PenL, variant Asn136Asp, from Burkholderia thailandensis, in complex with ceftazidime-like boronic acid
Descriptor: ACETATE ION, Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Cao, T.-P, Choi, J.M, Lee, S.H.
Deposit date:2018-08-08
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs.
Front Mol Biosci, 2020
6AFN
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BU of 6afn by Molmil
Crystal structure of class A b-lactamase, PenL, variant Cys69Tyr, from Burkholderia thailandensis, in complex with ceftazidime-like boronic acid
Descriptor: Beta-lactamase, GLYCEROL, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Cao, T.-P, Choi, J.M, Lee, S.H.
Deposit date:2018-08-08
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs.
Front Mol Biosci, 2020
4FH4
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BU of 4fh4 by Molmil
high-resolution structure of apo wt SHV-1 beta-lactamase
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2012-06-05
Release date:2012-09-26
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase
J.Am.Chem.Soc., 134, 2012
6BN3
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BU of 6bn3 by Molmil
CTX-M-151 class A extended-spectrum beta-lactamase apo crystal structure at 1.3 Angstrom resolution
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
Authors:Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S.
Deposit date:2017-11-16
Release date:2018-11-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.
Antimicrob.Agents Chemother., 65, 2021
6BPF
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BU of 6bpf by Molmil
CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 1.32 Angstrom resolution
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S.
Deposit date:2017-11-23
Release date:2018-11-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.318 Å)
Cite:Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.
Antimicrob.Agents Chemother., 65, 2021
4H8R
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BU of 4h8r by Molmil
Imipenem complex of GES-5 carbapenemase
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Extended-spectrum beta-lactamase GES-5, IODIDE ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2012-09-23
Release date:2013-07-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4EBL
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BU of 4ebl by Molmil
BlaC E166A Faropenem Acyl-Intermediate Complex
Descriptor: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-03-23
Release date:2013-04-03
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo
To be Published
6C39
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BU of 6c39 by Molmil
Apo crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4)
Descriptor: SODIUM ION, SULFATE ION, Serine-type D-Ala-D-Ala carboxypeptidase, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2018-01-09
Release date:2018-11-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural and kinetic analyses of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 293, 2018
4HBT
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BU of 4hbt by Molmil
Crystal structure of native CTX-M-15 extended-spectrum beta-lactamase
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Docquier, J.D, Benvenuti, M, Bruneau, J.M, Rossolini, G.M, Miossec, C, Black, M.T, Mangani, S.
Deposit date:2012-09-28
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases
Antimicrob.Agents Chemother., 57, 2013
5ZQA
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BU of 5zqa by Molmil
Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the apo form
Descriptor: DI(HYDROXYETHYL)ETHER, Lmo2812 protein, MAGNESIUM ION
Authors:Jeong, J.H, Kim, Y.G.
Deposit date:2018-04-18
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structures of Penicillin-Binding Protein D2 from Listeria monocytogenes and Structural Basis for Antibiotic Specificity
Antimicrob. Agents Chemother., 62, 2018
5ZQC
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BU of 5zqc by Molmil
Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the Ampicillin bound form
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Lmo2812 protein
Authors:Jeong, J.H, Kim, Y.G.
Deposit date:2018-04-18
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Crystal Structures of Penicillin-Binding Protein D2 from Listeria monocytogenes and Structural Basis for Antibiotic Specificity
Antimicrob. Agents Chemother., 62, 2018
6BU3
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BU of 6bu3 by Molmil
CTX-M-27 Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor
Descriptor: Beta-lactamase, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, SULFATE ION
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2017-12-08
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine beta-Lactamases.
Antimicrob. Agents Chemother., 62, 2018
6B1Y
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BU of 6b1y by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by co-crystallization
Descriptor: (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ...
Authors:van den Akker, F, Nguyen, N.Q.
Deposit date:2017-09-19
Release date:2018-08-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
6B2N
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BU of 6b2n by Molmil
Crystal structure of TEM-1 beta-lactamase mutant M182N
Descriptor: Beta-lactamase TEM, SULFATE ION
Authors:Jimah, J.R, Tolia, N.H.
Deposit date:2017-09-20
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models.
ACS Cent Sci, 3, 2017
6B68
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BU of 6b68 by Molmil
Beta-Lactamase, 100ms timepoint, mixed, shards crystal form
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6BT6
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BU of 6bt6 by Molmil
CTX-M-14 S237A Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor
Descriptor: Beta-lactamase, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2017-12-05
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine beta-Lactamases.
Antimicrob. Agents Chemother., 62, 2018
6B5Y
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BU of 6b5y by Molmil
Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form
Descriptor: Beta-lactamase, Ceftriaxone, PHOSPHATE ION
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-09-29
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6A
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BU of 6b6a by Molmil
Beta-Lactamase, 2secs timepoint, mixed, shards crystal form
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6B
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BU of 6b6b by Molmil
Beta-Lactamase, unmixed needles crystal form
Descriptor: Beta-lactamase
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B1W
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BU of 6b1w by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by co-crystallization
Descriptor: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ...
Authors:van den Akker, F, Nguyen, N.Q.
Deposit date:2017-09-19
Release date:2018-08-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
6B6E
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BU of 6b6e by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6C
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BU of 6b6c by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms
Descriptor: Beta-lactamase, Ceftriaxone
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
4FCF
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BU of 4fcf by Molmil
K234R: apo structure of inhibitor resistant beta-lactamase
Descriptor: 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2012-05-24
Release date:2012-12-26
Last modified:2013-10-02
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase.
J.Med.Chem., 56, 2013
6C3K
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BU of 6c3k by Molmil
Apo crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R)
Descriptor: CHLORIDE ION, Penicillin-binding protein 4, SODIUM ION, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2018-01-10
Release date:2018-11-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and kinetic analyses of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 293, 2018

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