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5W12
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ADC-7 in complex with boronic acid transition state inhibitor EC04
Descriptor: 3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase
Authors:Smolen, K.A, Powers, R.A, Wallar, B.J.
Deposit date:2017-06-01
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
5VTH
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BU of 5vth by Molmil
CTX-M-14 P167S:E166A mutant
Descriptor: Beta-lactamase
Authors:Hu, L, Patel, M, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2017-05-17
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5VPQ
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Crystal structure of beta-lactamase from Burkholderia phymatum
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, PHOSPHATE ION
Authors:SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-05-05
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of beta-lactamase from Burkholderia phymatum
to be published
5VLE
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BU of 5vle by Molmil
Ultrahigh Resolution X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2017-04-25
Release date:2017-11-08
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Mechanisms of proton relay and product release by Class A beta-lactamase at ultrahigh resolution.
FEBS J., 285, 2018
5UL8
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BU of 5ul8 by Molmil
Apo KPC-2 beta-lactamase crystal structure at 1.15 Angstrom resolution
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2017-01-24
Release date:2017-04-26
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2).
J. Med. Chem., 60, 2017
5UJO
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BU of 5ujo by Molmil
X-Ray Crystal Structure of Ruthenocenyl-7-Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, POTASSIUM ION, ruthenocenyl-7-aminodesacetoxycephalosporanic acid, ...
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2017-01-18
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Antibacterial Properties of Metallocenyl-7-ADCA Derivatives and Structure in Complex with CTX-Mbeta-Lactamase.
Organometallics, 36, 2017
5UJ4
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BU of 5uj4 by Molmil
Crystal structure of the KPC-2 beta-lactamase complexed with hydrolyzed faropenem
Descriptor: (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2017-01-16
Release date:2017-04-26
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2).
J. Med. Chem., 60, 2017
5UJ3
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Crystal structure of the KPC-2 beta-lactamase complexed with hydrolyzed cefotaxime
Descriptor: (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2017-01-16
Release date:2017-04-26
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2).
J. Med. Chem., 60, 2017
5U53
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CTX-M-14 E166A with acylated ceftazidime molecule
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase, NITRATE ION
Authors:Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2016-12-06
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TY7
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BU of 5ty7 by Molmil
Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with nafcillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 4, SODIUM ION, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-18
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.894 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TY2
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BU of 5ty2 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with nafcillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Penicillin-binding protein 4, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-18
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TXI
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BU of 5txi by Molmil
Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with ceftobiprole
Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-16
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TX9
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BU of 5tx9 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with ceftobiprole
Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 4, SODIUM ION, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-16
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TWE
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BU of 5twe by Molmil
CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2016-11-12
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TWD
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BU of 5twd by Molmil
CTX-M-14 P167S apoenzyme
Descriptor: Beta-lactamase
Authors:Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2016-11-12
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TW8
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BU of 5tw8 by Molmil
Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with ceftaroline
Descriptor: Ceftaroline, bound form, Penicillin-binding protein 4, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-11
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TW6
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BU of 5tw6 by Molmil
CTX-M-14 P167S:E166A mutant with acylated ceftazidime molecule
Descriptor: 1,2-ETHANEDIOL, ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2016-11-11
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TW4
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BU of 5tw4 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with ceftaroline
Descriptor: CHLORIDE ION, Ceftaroline, bound form, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-11
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TOY
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BU of 5toy by Molmil
X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2016-10-19
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanisms of proton relay and product release by Class A beta-lactamase at ultrahigh resolution.
FEBS J., 285, 2018
5TOP
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BU of 5top by Molmil
Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 S70G Beta-Lactamase
Descriptor: Beta-lactamase, POTASSIUM ION, RUTHENIUM ION, ...
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2016-10-18
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Mechanisms of proton relay and product release by Class A beta-lactamase at ultrahigh resolution.
FEBS J., 285, 2018
5TGF
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BU of 5tgf by Molmil
Crystal structure of putative beta-lactamase from Bacteroides dorei DSM 17855
Descriptor: CALCIUM ION, GLYCEROL, Uncharacterized protein
Authors:Nocek, B, Hatzos-Skintges, C, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2016-09-27
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of a beta-lactamase from Bacteroides dorei DSM 17855
To Be Published
5T66
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BU of 5t66 by Molmil
Crystal Structure of CTX-M-15 with 1C
Descriptor: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase
Authors:Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2016-09-01
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Cyclic Boronates Inhibit All Classes of beta-Lactamases.
Antimicrob. Agents Chemother., 61, 2017
5OYO
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BU of 5oyo by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis
Descriptor: ACETATE ION, Beta-lactamase, GLYCEROL, ...
Authors:Tassoni, R, Pannu, N.S.
Deposit date:2017-09-11
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
5NPO
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BU of 5npo by Molmil
Promiscuous Protein Self-Assembly as a Function of Protein Stability
Descriptor: Beta-lactamase, Beta-lactamase TEM, MAGNESIUM ION
Authors:Cohen-Khait, R, Dym, O, Hamer-Rogotner, S, Schreiber, G.
Deposit date:2017-04-18
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Promiscuous Protein Binding as a Function of Protein Stability.
Structure, 25, 2017
5NJ2
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BU of 5nj2 by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2017-03-27
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017

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