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5GKV
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BU of 5gkv by Molmil
Crystal Structure of a Novel Penicillin-Binding Protein (PBP) Homolog from Caulobacter crescentus
Descriptor: Esterase A
Authors:Ngo, T.D, Ryu, B.H, Kim, B.Y, Yoo, W.K, Lee, E.J, Lee, S.J, Kim, T.D, Kim, K.K.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Biochemical and Structural Analysis of a Novel Penicillin-Binding Protein (PBP) Homolog from Caulobacter crescentus
To Be Published
2ZM8
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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
4KZ3
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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
5GHX
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BU of 5ghx by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2016-06-21
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017
4E3M
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BU of 4e3m by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-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:2023-09-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4LV0
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BU of 4lv0 by Molmil
AmpC beta-lactamase in complex with m-aminophenyl boronic acid
Descriptor: Beta-lactamase, M-AMINOPHENYLBORONIC ACID, 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 (1.652 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
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
5GSC
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BU of 5gsc by Molmil
Crystal structure of a class C beta lactamase of Apo form
Descriptor: Beta-lactamase, CADMIUM ION
Authors:An, Y.J, Cha, S.S.
Deposit date:2016-08-15
Release date:2017-08-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Crystal structure of a class C beta lactamase of Apo form
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
4LV2
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BU of 4lv2 by Molmil
AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid
Descriptor: Beta-lactamase, PHOSPHATE ION, [1-(6-chloropyrimidin-4-yl)-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 (1.65 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
5GZW
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BU of 5gzw by Molmil
Crystal structure of AmpC BER adenylylated by acetyl-AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Beta-lactamase, SULFATE ION
Authors:An, Y.J, Cha, S.S.
Deposit date:2016-10-02
Release date:2017-10-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Structural and mechanistic insights into the inhibition of class C beta-lactamases through the adenylylation of the nucleophilic serine.
J.Antimicrob.Chemother., 72, 2017
1LLB
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BU of 1llb by Molmil
Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With ATMO-penicillin
Descriptor: 2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, beta-lactamase
Authors:Trehan, I, Morandi, F, Blaszczak, L.C, Shoichet, B.K.
Deposit date:2002-04-26
Release date:2002-10-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Using steric hindrance to design new inhibitors of class C beta-lactamases.
Chem.Biol., 9, 2002
1L0D
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BU of 1l0d by Molmil
X-ray Crystal Structure of AmpC S64D Mutant beta-Lactamase
Descriptor: PHOSPHATE ION, beta-lactamase
Authors:Beadle, B.M, Shoichet, B.K.
Deposit date:2002-02-09
Release date:2002-08-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural bases of stability-function tradeoffs in enzymes.
J.Mol.Biol., 321, 2002
1L2S
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BU of 1l2s by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a DOCK-predicted non-covalent inhibitor
Descriptor: 3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID, beta-lactamase
Authors:Powers, R.A, Morandi, F, Shoichet, B.K.
Deposit date:2002-02-24
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase.
Structure, 10, 2002
2Y91
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BU of 2y91 by Molmil
Crystal structure of class A beta-lactamase from Bacillus licheniformis BS3 with clavulanic acid
Descriptor: 5-HYDROXY-3-OXOPENTANOIC ACID, BETA-LACTAMASE, CITRIC ACID, ...
Authors:Power, P, Sauvage, E, Herman, R, Kerff, F, Charlier, P.
Deposit date:2011-02-11
Release date:2012-02-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Fragments of Clavulanate Observed in the Structure of the Class a Beta-Lactamase from Bacillus Licheniformis Bs3.
J.Antimicrob.Chemother., 67, 2012
4KZB
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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
4KZ4
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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
4KZ8
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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
1LL9
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BU of 1ll9 by Molmil
Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With Amoxicillin
Descriptor: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, beta-lactamase
Authors:Trehan, I, Morandi, F, Blaszczak, L.C, Shoichet, B.K.
Deposit date:2002-04-26
Release date:2002-10-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Using steric hindrance to design new inhibitors of class C beta-lactamases.
Chem.Biol., 9, 2002
5HAI
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BU of 5hai by Molmil
P99 beta-lactamase mutant - S64G
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
1LL5
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BU of 1ll5 by Molmil
X-ray crystal structure of AmpC WT beta-lactamase in complex with covalently bound imipenem
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:Beadle, B.M, Shoichet, B.K.
Deposit date:2002-04-26
Release date:2002-11-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Imipenem Inhibition of Class C beta-lactamases
ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
2ZLY
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BU of 2zly by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, 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, Negoro, S.
Deposit date:2008-04-10
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.58 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
2ZM9
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BU of 2zm9 by Molmil
Structure of 6-Aminohexanoate-dimer Hydrolase, A61V/S112A/A124V/R187S/F264C/G291R/G338A/D370Y mutant (Hyb-S4M94) with Substrate
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 (1.5 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
1L0G
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BU of 1l0g by Molmil
X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase
Descriptor: PHOSPHATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase
Authors:Beadle, B.M, Shoichet, B.K.
Deposit date:2002-02-09
Release date:2002-08-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural bases of stability-function tradeoffs in enzymes.
J.Mol.Biol., 321, 2002
1L0F
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BU of 1l0f by Molmil
X-ray Crystal Structure of AmpC N152H Mutant beta-Lactamase
Descriptor: PHOSPHATE ION, beta-lactamase
Authors:Beadle, B.M, Shoichet, B.K.
Deposit date:2002-02-09
Release date:2002-08-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural bases of stability-function tradeoffs in enzymes.
J.Mol.Biol., 321, 2002

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