Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1Y54
DownloadVisualize
BU of 1y54 by Molmil
Crystal structure of the native class C beta-lactamase from Enterobacter cloacae 908R complexed with BRL42715
Descriptor: (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID, Beta-lactamase
Authors:Michaux, C, Charlier, P, Frere, J.-M, Wouters, J.
Deposit date:2004-12-02
Release date:2005-03-29
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of BRL 42715, C6-(N1-Methyl-1,2,3-triazolylmethylene)penem, in Complex with Enterobactercloacae 908R beta-Lactamase: Evidence for a Stereoselective Mechanism from Docking Studies
J.Am.Chem.Soc., 127, 2005
5WAC
DownloadVisualize
BU of 5wac by Molmil
ADC-7 in complex with boronic acid transition state inhibitor CR157
Descriptor: Beta-lactamase, phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
Authors:Powers, R.A, Wallar, B.J.
Deposit date:2017-06-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
5WAG
DownloadVisualize
BU of 5wag by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S06017
Descriptor: 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, SUCCINIC ACID
Authors:Powers, R.A, Wallar, B.J.
Deposit date:2017-06-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
4LCL
DownloadVisualize
BU of 4lcl by Molmil
Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208)
Descriptor: ISOPROPYL ALCOHOL, Transesterase
Authors:Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y.
Deposit date:2013-06-21
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
4LCM
DownloadVisualize
BU of 4lcm by Molmil
Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014)
Descriptor: Transesterase
Authors:Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y.
Deposit date:2013-06-21
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
1PW8
DownloadVisualize
BU of 1pw8 by Molmil
Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin
Descriptor: (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
Authors:Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
4KZ3
DownloadVisualize
BU of 4kz3 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid)
Descriptor: 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
1PWG
DownloadVisualize
BU of 1pwg by Molmil
Covalent Penicilloyl Acyl Enzyme Complex Of The Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase
Authors:Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.074 Å)
Cite:Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1O07
DownloadVisualize
BU of 1o07 by Molmil
Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG)
Descriptor: 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, POTASSIUM ION
Authors:Meroueh, S.O, Minasov, G, Lee, W, Shoichet, B.K, Mobashery, S.
Deposit date:2003-02-20
Release date:2003-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural Aspects for Evolution of beta-Lactamases from Penicillin-Binding Proteins
J.Am.Chem.Soc., 125, 2003
4KZB
DownloadVisualize
BU of 4kzb by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine)
Descriptor: Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ8
DownloadVisualize
BU of 4kz8 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione)
Descriptor: 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ4
DownloadVisualize
BU of 4kz4 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid)
Descriptor: 2-[(propylsulfonyl)amino]benzoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
3O87
DownloadVisualize
BU of 3o87 by Molmil
Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor
Descriptor: 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K.
Deposit date:2010-08-02
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
3OZH
DownloadVisualize
BU of 3ozh by Molmil
Crystal Structure of Beta-Lactamase/D-alanine Carboxypeptidase from Yersinia pestis
Descriptor: beta-lactamase/D-alanine carboxypeptidase
Authors:Kim, Y, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-24
Release date:2010-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Crystal Structure of Beta-Lactamase/D-alanine Carboxypeptidase from Yersinia pestis
To be Published
3O86
DownloadVisualize
BU of 3o86 by Molmil
Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, {[(benzylsulfonyl)amino]methyl}boronic acid
Authors:Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K.
Deposit date:2010-08-02
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
3O88
DownloadVisualize
BU of 3o88 by Molmil
Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor
Descriptor: 3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K.
Deposit date:2010-08-02
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
3PTE
DownloadVisualize
BU of 3pte by Molmil
THE REFINED CRYSTALLOGRAPHIC STRUCTURE OF A DD-PEPTIDASE PENICILLIN-TARGET ENZYME AT 1.6 A RESOLUTION
Descriptor: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE
Authors:Kelly, J.A, Kuzin, A.P.
Deposit date:1994-08-05
Release date:1995-08-15
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The refined crystallographic structure of a DD-peptidase penicillin-target enzyme at 1.6 A resolution.
J.Mol.Biol., 254, 1995
4LV1
DownloadVisualize
BU of 4lv1 by Molmil
AmpC beta-lactamase in complex with [1-(3-chlorophenyl)-1H-pyrazol-4-yl] boronic acid
Descriptor: Beta-lactamase, PHOSPHATE ION, [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4M3K
DownloadVisualize
BU of 4m3k by Molmil
Structure of a single domain camelid antibody fragment cAb-H7S in complex with the BlaP beta-lactamase from Bacillus licheniformis
Descriptor: Beta-lactamase, CHLORIDE ION, Camelid heavy-chain antibody variable fragment cAb-H7S
Authors:Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M.
Deposit date:2013-08-06
Release date:2014-08-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
4LV3
DownloadVisualize
BU of 4lv3 by Molmil
AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid
Descriptor: (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
2ZM8
DownloadVisualize
BU of 2zm8 by Molmil
Structure of 6-Aminohexanoate-dimer Hydrolase, S112A/D370Y Mutant Complexed with 6-Aminohexanoate-dimer
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
Authors:Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
Deposit date:2008-04-14
Release date:2009-04-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
2ZMA
DownloadVisualize
BU of 2zma by Molmil
Crystal Structure of 6-Aminohexanoate-dimer Hydrolase S112A/G181D/H266N/D370Y Mutant with Substrate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
Authors:Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
Deposit date:2008-04-14
Release date:2009-04-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold
Febs J., 276, 2009
6TBW
DownloadVisualize
BU of 6tbw by Molmil
Crystal structure of AmpC from E.coli with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-11-04
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
2ZM0
DownloadVisualize
BU of 2zm0 by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, G181D/H266N/D370Y mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
Authors:Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S.
Deposit date:2008-04-10
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold.
Febs J., 276, 2009
4OLG
DownloadVisualize
BU of 4olg by Molmil
Crystal structure of AmpC beta-lactamase in complex with covalently bound N-formyl 7-aminocephalosporanic acid
Descriptor: (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Shoichet, B.K, Barelier, S.
Deposit date:2014-01-23
Release date:2014-05-28
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon