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4N1X
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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
4CJN
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Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
Descriptor: (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ...
Authors:Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2013-12-21
Release date:2015-02-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
4OH0
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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
4OON
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Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)
Descriptor: (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A
Authors:Han, S, Caspers, N, Knafels, J.D.
Deposit date:2014-02-03
Release date:2014-05-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
4CPK
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Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA
Descriptor: CADMIUM ION, CHLORIDE ION, Penicillin binding protein 2 prime, ...
Authors:Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2014-02-07
Release date:2014-09-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics.
J.Am.Chem.Soc., 136, 2014
4OVD
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Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
Descriptor: CALCIUM ION, Peptidoglycan glycosyltransferase
Authors:Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Babnigg, G, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-02-21
Release date:2014-03-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
To be Published
4QJG
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin V
Descriptor: (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan glycosyltransferase
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-06-03
Release date:2014-07-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin V
To be Published
4U3T
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Crystal structure of the transpeptidase domain of Neisseria gonorrhoeae penicillin-binding protein 2 derived from the penicillin-resistant strain 6140
Descriptor: Penicillin-binding protein 2
Authors:Fedarovich, A, Davies, C.
Deposit date:2014-07-22
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Effect of the Asp345a Insertion in Penicillin-Binding Protein 2 from Penicillin-Resistant Strains of Neisseria gonorrhoeae.
Biochemistry, 53, 2014
4R0Q
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cephalothin
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CEPHALOTHIN GROUP, Peptidoglycan glycosyltransferase, ...
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-08-01
Release date:2014-08-27
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cephalothin
To be Published
4R1G
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cloxacillin
Descriptor: CLOXACILLIN (OPEN FORM), Peptidoglycan glycosyltransferase
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-08-05
Release date:2014-08-27
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cloxacillin
To be Published
4R23
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin
Descriptor: (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ...
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-08-08
Release date:2014-09-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin
To be Published
4R3J
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cefapirin
Descriptor: (2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, PHOSPHATE ION, ...
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-08-15
Release date:2014-09-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cefapirin
To be Published
4RA7
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin
Descriptor: (2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan glycosyltransferase
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-09
Release date:2014-09-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin
To be Published
4WEK
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Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted vinyl monocarbam
Descriptor: (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
Authors:Ferguson, A.D.
Deposit date:2014-09-10
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
4WEJ
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Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam
Descriptor: (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
Authors:Ferguson, A.D.
Deposit date:2014-09-10
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.045 Å)
Cite:SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
4WEL
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Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176
Descriptor: (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
Authors:Ferguson, A.D.
Deposit date:2014-09-10
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
4WM9
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Acinetobacter baumanii OXA-24 complex with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Mangani, S, Benvenuti, M, Docquier, J.-D.
Deposit date:2014-10-08
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
4WMC
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OXA-48 covalent complex with Avibactam inhibitor
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE
Authors:Mangani, S, Benvenuti, M, Docquier, J.D.
Deposit date:2014-10-08
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
4WZ5
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Crystal structure of P. aeruginosa OXA10
Descriptor: Beta-lactamase OXA-10, CARBON DIOXIDE, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
Acs Infect Dis., 1, 2015
4X55
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Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime
Descriptor: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225
Authors:Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
Deposit date:2014-12-04
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
4X53
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Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Aztreonam
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, BICARBONATE ION, Class D beta-lactamase OXA-160
Authors:Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
Deposit date:2014-12-04
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
4X56
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Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Class D beta-lactamase OXA-160
Authors:Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
Deposit date:2014-12-04
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
4X69
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Crystal structure of OP0595 complexed with CTX-M-44
Descriptor: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase Toho-1
Authors:Yamada, M, Watanabe, T.
Deposit date:2014-12-07
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:OP0595, a new diazabicyclooctane: mode of action as a serine beta-lactamase inhibitor, antibiotic and beta-lactam 'enhancer'
J.Antimicrob.Chemother., 70, 2015
4S2J
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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:2017-11-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2K
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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:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015

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