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2R9W
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AmpC beta-lactamase with bound Phthalamide inhibitor
Descriptor: 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2007-09-13
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
2QZ6
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First crystal structure of a psychrophile class C beta-lactamase
Descriptor: Beta-lactamase
Authors:Michaux, C, Massant, J, Kerff, F, Charlier, P, Wouters, J.
Deposit date:2007-08-16
Release date:2008-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of a cold-adapted class C beta-lactamase
Febs J., 275, 2008
2QPN
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GES-1 beta-lactamase
Descriptor: Beta-lactamase GES-1, SULFATE ION
Authors:Smith, C.A, Caccamo, M, Kantardjieff, K.A, Vakulenko, S.
Deposit date:2007-07-24
Release date:2008-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure of GES-1 at atomic resolution: insights into the evolution of carbapenamase activity in the class A extended-spectrum beta-lactamases.
Acta Crystallogr.,Sect.D, 63, 2007
2QMI
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Structure of the octameric penicillin-binding protein homologue from Pyrococcus abyssi
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, LUTETIUM (III) ION, Pbp related beta-lactamase
Authors:Delfosse, V, Girard, E, Moulinier, L, Schultz, P, Mayer, C.
Deposit date:2007-07-16
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the archaeal pab87 peptidase reveals a novel self-compartmentalizing protease family
Plos One, 4, 2009
2Q9N
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4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity
Descriptor: (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase
Authors:Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T.
Deposit date:2007-06-13
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
2Q9M
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4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity
Descriptor: (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase
Authors:Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T.
Deposit date:2007-06-13
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
2PU4
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AmpC beta-lacamase with bound covalent oxadiazole inhibitor
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2007-05-08
Release date:2008-04-15
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
2PU2
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AmpC beta-lactamase with bound Phthalamide inhibitor
Descriptor: 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2007-05-08
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
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:2011-07-13
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
2P74
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CTX-M-9 class A beta-lactamase apo crystal structure at 0.88 Angstrom resolution
Descriptor: Beta-lactamase CTX-M-9a, PHOSPHATE ION, POTASSIUM ION
Authors:Chen, Y, Bonnet, R, Shoichet, B.K.
Deposit date:2007-03-19
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:The Acylation Mechanism of CTX-M beta-Lactamase at 0.88 A Resolution.
J.Am.Chem.Soc., 129, 2007
2OV5
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BU of 2ov5 by Molmil
Crystal structure of the KPC-2 carbapenemase
Descriptor: BICINE, Carbapenemase
Authors:Ke, W, Bethel, C.R, Thomson, J.M, Bonomo, R.A, van den Akker, F.
Deposit date:2007-02-13
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of KPC-2: Insights into Carbapenemase Activity in Class A beta-Lactamases.
Biochemistry, 46, 2007
2I72
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AmpC beta-lactamase in complex with 5-diformylaminomethyl-benzo[b]thiophen-2-boronic acid
Descriptor: Beta-lactamase, {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID
Authors:Venturelli, A, Cancian, L, Tondi, D, Morandi, F, Cannazza, G, Segatore, B, Prati, F, Amicosante, G, Shoichet, B.K, Costi, M.P.
Deposit date:2006-08-30
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimizing Cell Permeation of an Antibiotic Resistance Inhibitor for Improved Efficacy
J.Med.Chem., 50, 2007
2HDU
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AmpC beta-lactamase in complex with 2-acetamidothiophene-3-carboxylic acid
Descriptor: 2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2006-06-20
Release date:2006-11-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2HDS
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BU of 2hds by Molmil
AmpC beta-lactamase in complex with 4-Methanesulfonylamino benzoic acid
Descriptor: 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2006-06-20
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2HDR
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BU of 2hdr by Molmil
AmpC beta-lactamase in complex with 4-Amino-3-hydroxybenzoic acid
Descriptor: 4-AMINO-3-HYDROXYBENZOIC ACID, Beta-lactamase, PHOSPHATE ION
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2006-06-20
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2HDQ
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AmpC beta-lactamase in complex with 2-carboxythiophene
Descriptor: Beta-lactamase, THIOPHENE-2-CARBOXYLIC ACID
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2006-06-20
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2H5S
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BU of 2h5s by Molmil
SA2-13 penam sulfone complexed to wt SHV-1 beta-lactamase
Descriptor: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SHV-1 beta-lactamase
Authors:van den Akker, F, Padayatti, P.S.
Deposit date:2006-05-27
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Rational Design of a beta-Lactamase Inhibitor Achieved via Stabilization of the trans-Enamine Intermediate: 1.28 A Crystal Structure of wt SHV-1 Complex with a Penam Sulfone.
J.Am.Chem.Soc., 128, 2006
2H10
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BU of 2h10 by Molmil
Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to tazobactam
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, TAZOBACTAM INTERMEDIATE
Authors:van den Akker, F, Padayatti, P.S.
Deposit date:2006-05-15
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Effect of the inhibitor-resistant M69V substitution on the structures and populations of trans-enamine beta-lactamase intermediates.
Biochemistry, 45, 2006
2H0Y
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Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to sulbactam
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ETHANESULFONIC ACID, ...
Authors:van den Akker, F, Padayatti, P.S.
Deposit date:2006-05-15
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Effect of the inhibitor-resistant M69V substitution on the structures and populations of trans-enamine beta-lactamase intermediates.
Biochemistry, 45, 2006
2H0T
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Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to clavulanic acid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Broad-spectrum beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ...
Authors:van den Akker, F, Padayatti, P.S.
Deposit date:2006-05-15
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Effect of the inhibitor-resistant M69V substitution on the structures and populations of trans-enamine beta-lactamase intermediates.
Biochemistry, 45, 2006
2GDN
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BU of 2gdn by Molmil
Crystal structure of the Mycobacterium tuberculosis beta-lactamase
Descriptor: Beta-lactamase
Authors:Wang, F, Cassidy, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2006-03-16
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure and Activity Studies of the Mycobacterium tuberculosis {beta}-Lactamase Reveal Its Critical Role in Resistance to {beta}-Lactam Antibiotics.
Antimicrob.Agents Chemother., 50, 2006
2G2W
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Crystal Structure of the SHV D104K Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) complex
Descriptor: Beta-lactamase SHV-1, Beta-lactamase inhibitory protein
Authors:Reynolds, K.A, Thomson, J.M, Corbett, K.D, Bethel, C.R, Berger, J.M, Kirsch, J.F, Bonomo, R.A, Handel, T.M.
Deposit date:2006-02-16
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Computational Characterization of the SHV-1 beta-Lactamase-beta-Lactamase Inhibitor Protein Interface.
J.Biol.Chem., 281, 2006
2G2U
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Crystal Structure of the SHV-1 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) complex
Descriptor: Beta-lactamase SHV-1, Beta-lactamase inhibitory protein
Authors:Reynolds, K.A, Thomson, J.M, Corbett, K.D, Bethel, C.R, Berger, J.M, Kirsch, J.F, Bonomo, R.A, Handel, T.M.
Deposit date:2006-02-16
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Computational Characterization of the SHV-1 beta-Lactamase-beta-Lactamase Inhibitor Protein Interface.
J.Biol.Chem., 281, 2006
2FFY
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AmpC beta-lactamase N289A mutant in complex with a boronic acid deacylation transition state analog compound SM3
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Chen, Y, Minasov, G, Roth, T.A, Prati, F, Shoichet, B.K.
Deposit date:2005-12-20
Release date:2006-03-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:The deacylation mechanism of AmpC beta-lactamase at ultrahigh resolution
J.Am.Chem.Soc., 128, 2006
2EFX
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BU of 2efx by Molmil
The crystal structure of D-amino acid amidase from Ochrobactrum anthropi SV3 complexed with L-phenylalanine amide
Descriptor: BARIUM ION, D-amino acid amidase, PHENYLALANINE AMIDE
Authors:Okazaki, S, Suzuki, A, Mizushima, T, Komeda, H, Asano, Y, Yamane, T.
Deposit date:2007-02-26
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of D-amino-acid amidase complexed with L-phenylalanine and with L-phenylalanine amide: insight into the D-stereospecificity of D-amino-acid amidase from Ochrobactrum anthropi SV3.
Acta Crystallogr.,Sect.D, 64, 2008

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