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PDB: 1034 results

5XHR
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BU of 5xhr by Molmil
Crystal structure of P99 beta-lactamase in complex with a penicillin derivative MPC-1
Descriptor: (2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2017-04-24
Release date:2017-09-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modified Penicillin Molecule with Carbapenem-Like Stereochemistry Specifically Inhibits Class C beta-Lactamases
Antimicrob. Agents Chemother., 61, 2017
3A65
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BU of 3a65 by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
Authors:Kawashima, Y, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
Deposit date:2009-08-21
Release date:2010-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enzymatic Synthesis of Nylon-6 Units in Organic Sol Contained Low-Water: Structural Requirement of 6-Aminohexanoate-Dimer Hydrolase for Efficient Amid Synthesis
To be Published
3A66
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BU of 3a66 by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N/D370Y mutant with substrate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOATE-DIMER HYDROLASE, 6-AMINOHEXANOIC ACID, ...
Authors:Kawashima, Y, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
Deposit date:2009-08-21
Release date:2010-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enzymatic Synthesis of Nylon-6 Units in Organic Sol Contained Low-Water: Structural Requirement of 6-Aminohexanoate-Dimer Hydrolase for Efficient Amid Synthesis
To be Published
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
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of a beta-lactamase from Bacteroides dorei DSM 17855
To Be Published
7CIN
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BU of 7cin by Molmil
Crystal structure of the extended-spectrum class C beta-lactamase AmpC BER with the ordered R2 loop
Descriptor: Beta-lactamase, SULFATE ION
Authors:Jeong, B.G, Cha, S.S.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79006362 Å)
Cite:Crystal structure of AmpC BER and molecular docking lead to the discovery of broad inhibition activities of halisulfates against beta-lactamases.
Comput Struct Biotechnol J, 19, 2021
6M5Q
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BU of 6m5q by Molmil
A class C beta-lactamase mutant - Y150F
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, Beta-lactamase
Authors:Bae, D.W, Jung, Y.E, Cha, S.S.
Deposit date:2020-03-11
Release date:2021-01-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Novel inhibition mechanism of carbapenems on the ACC-1 class C beta-lactamase.
Arch.Biochem.Biophys., 693, 2020
2P9V
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BU of 2p9v by Molmil
Structure of AmpC beta-lactamase with cross-linked active site after exposure to small molecule inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Babaoglu, K, Wyrembak, P.N, Pelto, R.B, Shoichet, B.K, Pratt, R.F.
Deposit date:2007-03-26
Release date:2007-08-14
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:O-Aryloxycarbonyl Hydroxamates: New beta-Lactamase Inhibitors That Cross-Link the Active Site.
J.Am.Chem.Soc., 129, 2007
4XUX
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BU of 4xux by Molmil
Structure of ampC bound to RPX-7009 at 1.75 A
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ...
Authors:Clifton, M.C, Abendroth, J.
Deposit date:2015-01-26
Release date:2015-04-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
8XY8
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BU of 8xy8 by Molmil
a beta-lactamase - AmpC
Descriptor: Beta-lactamase
Authors:Ma, W.Z, Song, W.
Deposit date:2024-01-19
Release date:2025-01-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mechanism-Guided Protein Engineering of Paraburkholderia xenovorans Lactamase for the Green Synthesis of 2-(2-oxopyrrolidin-1-yl)-butanoic acid
To Be Published
1ZC2
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BU of 1zc2 by Molmil
Crystal Structure of plasmid-encoded class C beta-lactamase CMY-2 complexed with citrate molecule
Descriptor: CITRIC ACID, beta-lactamase class C
Authors:Bauvois, C, Jacquamet, L, Fieulaine, S, Frere, J.-M, Galleni, M, Ferrer, J.-L.
Deposit date:2005-04-10
Release date:2006-04-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystallographic structure of plasmid-encoded CMY-2 beta-lactamase revealed citrate molecule in the active site.
To be Published
1ZKJ
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BU of 1zkj by Molmil
Structural Basis for the Extended Substrate Spectrum of CMY-10, a Plasmid-Encoded Class C beta-lactamase
Descriptor: ACETIC ACID, ZINC ION, extended-spectrum beta-lactamase
Authors:Cha, S.S, Jung, H.I, An, Y.J, Lee, S.H.
Deposit date:2005-05-03
Release date:2006-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for the extended substrate spectrum of CMY-10, a plasmid-encoded class C beta-lactamase.
Mol.Microbiol., 60, 2006
7MDC
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BU of 7mdc by Molmil
Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ...
Authors:Velilla, J.A, Volpe, M.R, Gaudet, R.
Deposit date:2021-04-03
Release date:2022-09-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A small molecule inhibitor prevents gut bacterial genotoxin production.
Nat.Chem.Biol., 19, 2023
7MDE
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BU of 7mde by Molmil
Full-length S95A ClbP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-lactamase, CHLORIDE ION, ...
Authors:Velilla, J.A, Volpe, M.R, Gaudet, R.
Deposit date:2021-04-04
Release date:2022-09-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of colibactin activation by the ClbP peptidase.
Nat.Chem.Biol., 19, 2023
7MDF
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BU of 7mdf by Molmil
Full-length S95A ClbP bound to N-acyl-D-asparagine analog
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ...
Authors:Velilla, J.A, Volpe, M.R, Gaudet, R.
Deposit date:2021-04-04
Release date:2022-09-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of colibactin activation by the ClbP peptidase.
Nat.Chem.Biol., 19, 2023
7Y3Z
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BU of 7y3z by Molmil
Structure of a novel carboxylesterase FEH from Acinetobacter sp. DL-2
Descriptor: Fenoxaprop-p-ethyl hydrolase
Authors:Huang, Y, Liu, W.D, Zhang, Y.J, Duan, Y.J, Lu, M.L.
Deposit date:2022-06-13
Release date:2023-07-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a novel carboxylesterase FEH from Acinetobacter sp. DL-2
To Be Published
7MQN
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BU of 7mqn by Molmil
Crystal structure of class C beta lactamase from Rhodobacter sphaeroides
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Chang, C, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-05-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of class C beta lactamase from Rhodobacter sphaeroides
To Be Published
1BLS
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BU of 1bls by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF A PHOSPHONATE DERIVATIVE OF THE ENTEROBACTER CLOACAE P99 CEPHALOSPORINASE: MECHANISTIC INTERPRETATION OF A BETA-LACTAMASE TRANSITION STATE ANALOG
Descriptor: (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID, BETA-LACTAMASE
Authors:Knox, J.R, Moews, P.C, Lobkovsky, E.
Deposit date:1993-12-17
Release date:1995-05-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic structure of a phosphonate derivative of the Enterobacter cloacae P99 cephalosporinase: mechanistic interpretation of a beta-lactamase transition-state analog.
Biochemistry, 33, 1994
3SH7
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BU of 3sh7 by Molmil
Crystal structure of fluorophore-labeled beta-lactamase PenP
Descriptor: 1-[6-(dimethylamino)naphthalen-2-yl]ethanone, Beta-lactamase
Authors:Wong, W.-T, Zhao, Y.-X, Leung, Y.-C.
Deposit date:2011-06-16
Release date:2011-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Increased structural flexibility at the active site of a fluorophore-conjugated beta-lactamase distinctively impacts its binding toward diverse cephalosporin antibiotics
J.Biol.Chem., 286, 2011
3SOI
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BU of 3soi by Molmil
Crystallographic structure of Bacillus licheniformis beta-lactamase W210F/W229F/W251F at 1.73 angstrom resolution
Descriptor: Beta-lactamase, CITRIC ACID
Authors:Acierno, J.P, Capaldi, S, Risso, V.A, Monaco, H.L, Ermacora, M.R.
Deposit date:2011-06-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis beta-lactamase.
Protein Sci., 21, 2012
3S1Y
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BU of 3s1y by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with a beta-lactamase inhibitor
Descriptor: Beta-lactamase, CHLORIDE ION, ISOPROPYL ALCOHOL, ...
Authors:Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
Deposit date:2011-05-16
Release date:2011-06-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
4E3J
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BU of 4e3j by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7999 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
3S4X
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BU of 3s4x by Molmil
Crystal structure of the Asn152Gly mutant of P99 beta-lactamase
Descriptor: Beta-lactamase, SULFATE ION
Authors:Ruble, J.F, Powers, R.A.
Deposit date:2011-05-20
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of the Asn152Gly mutant of P99 cephalosporinase.
Acta Crystallogr.,Sect.D, 68, 2012
3SH9
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BU of 3sh9 by Molmil
Crystal structure of fluorophore-labeled beta-lactamase PenP in complex with cefotaxime
Descriptor: 1-[6-(dimethylamino)naphthalen-2-yl]ethanone, Beta-lactamase, CEFOTAXIME, ...
Authors:Wong, W.-T, Zhao, Y.-X, Leung, Y.-C.
Deposit date:2011-06-16
Release date:2011-07-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increased structural flexibility at the active site of a fluorophore-conjugated beta-lactamase distinctively impacts its binding toward diverse cephalosporin antibiotics
J.Biol.Chem., 286, 2011
8TTP
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BU of 8ttp by Molmil
Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-08-14
Release date:2023-09-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam
to be published
6FM6
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BU of 6fm6 by Molmil
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes
Descriptor: Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL
Authors:Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S.
Deposit date:2018-01-30
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018

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