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PDB: 36 results

5FGZ
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BU of 5fgz by Molmil
E. coli PBP1b in complex with FPI-1465
Descriptor: MOENOMYCIN, Penicillin-binding protein 1B, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-12-21
Release date:2016-01-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
4S2J
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BU of 4s2j by Molmil
OXA-48 in complex with Avibactam at pH 6.5
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-20
Release date:2015-02-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2O
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BU of 4s2o by Molmil
OXA-10 in complex with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, COBALT (II) ION
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-21
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2N
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BU of 4s2n by Molmil
OXA-48 in complex with Avibactam at pH 8.5
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-21
Release date:2015-02-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2I
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BU of 4s2i by Molmil
CTX-M-15 in complex with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-20
Release date:2015-02-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2K
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BU of 4s2k by Molmil
OXA-48 in complex with Avibactam at pH 7.5
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-20
Release date:2015-02-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2P
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BU of 4s2p by Molmil
Crystal structure of unbound OXA-48
Descriptor: Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-21
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
5HL9
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BU of 5hl9 by Molmil
E. coli PBP1b in complex with acyl-ampicillin and moenomycin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2016-01-14
Release date:2016-12-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights into Inhibition of Escherichia coli Penicillin-binding Protein 1B.
J.Biol.Chem., 292, 2017
5HLD
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BU of 5hld by Molmil
E. coli PBP1b in complex with acyl-CENTA and moenomycin
Descriptor: (2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2016-01-14
Release date:2016-12-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition.
J. Biol. Chem., 2016
5HLB
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BU of 5hlb by Molmil
E. coli PBP1b in complex with acyl-aztreonam and moenomycin
Descriptor: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, MOENOMYCIN, Penicillin-binding protein 1B
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2016-01-14
Release date:2016-12-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition.
J. Biol. Chem., 2016
5HLA
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BU of 5hla by Molmil
E. coli PBP1b in complex with acyl-cephalexin and moenomycin
Descriptor: (2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2016-01-14
Release date:2016-12-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition.
J. Biol. Chem., 2016
4Q6V
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BU of 4q6v by Molmil
LpoB C-terminal domain from Salmonella enterica (Sel-Met)
Descriptor: Penicillin-binding protein activator LpoB
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2014-04-23
Release date:2014-05-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Insights into the Lipoprotein Outer Membrane Regulator of Penicillin-binding Protein 1B.
J.Biol.Chem., 289, 2014
4Q6Z
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BU of 4q6z by Molmil
LpoB C-terminal domain from Escherichia coli
Descriptor: Penicillin-binding protein activator LpoB
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2014-04-23
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into the Lipoprotein Outer Membrane Regulator of Penicillin-binding Protein 1B.
J.Biol.Chem., 289, 2014
4Q6L
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BU of 4q6l by Molmil
LpoB C-terminal domain from Salmonella enterica (Native)
Descriptor: Penicillin-binding protein activator LpoB
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2014-04-22
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Lipoprotein Outer Membrane Regulator of Penicillin-binding Protein 1B.
J.Biol.Chem., 289, 2014
4EYB
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BU of 4eyb by Molmil
Crystal structure of NDM-1 bound to hydrolyzed oxacillin
Descriptor: (2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid, Beta-lactamase NDM-1, ZINC ION
Authors:Strynadka, N.C.J, King, D.T.
Deposit date:2012-05-01
Release date:2012-08-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
5FAP
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BU of 5fap by Molmil
CTX-M-15 in complex with FPI-1602
Descriptor: Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FA7
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BU of 5fa7 by Molmil
CTX-M-15 in complex with FPI-1523
Descriptor: Beta-lactamase, [[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FAQ
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BU of 5faq by Molmil
OXA-48 in complex with FPI-1465
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FAT
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BU of 5fat by Molmil
OXA-48 in complex with FPI-1602
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-12
Release date:2016-01-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FAO
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BU of 5fao by Molmil
CTX-M-15 in complex with FPI-1465
Descriptor: Beta-lactamase, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-11
Release date:2016-02-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FAS
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BU of 5fas by Molmil
OXA-48 in complex with FPI-1523
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5TZI
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BU of 5tzi by Molmil
Crystal structure of S. aureus TarS 1-349
Descriptor: Glycosyl transferase
Authors:Worrall, L.J, Sobhanifar, S, King, D.T, Strynadka, N.C.
Deposit date:2016-11-21
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance.
PLoS Pathog., 12, 2016
5U02
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BU of 5u02 by Molmil
Crystal structure of S. aureus TarS 217-571
Descriptor: Glycosyl transferase, IMIDAZOLE
Authors:Worrall, L.J, Sobhanifar, S, King, D.T, Strynadka, N.C.
Deposit date:2016-11-22
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance.
PLoS Pathog., 12, 2016
3SPU
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BU of 3spu by Molmil
apo NDM-1 Crystal Structure
Descriptor: Beta-lactamase NDM-1, ZINC ION
Authors:Strynadka, N.C.J, King, D.T.
Deposit date:2011-07-03
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of New Delhi metallo-beta-lactamase reveals molecular basis for antibiotic resistance
Protein Sci., 20, 2011
7LXG
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BU of 7lxg by Molmil
Homocitrullinated beta-lactamase OXA-48
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Serrano-Negron, J.E, King, D.T, Vocadlo, D.J.
Deposit date:2021-03-03
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chemoproteomic identification of CO 2 -dependent lysine carboxylation in proteins.
Nat.Chem.Biol., 18, 2022

 

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