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5ZFT
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Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "pre-deacylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5ZA2
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Fox-4 beta-lactamase complexed with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ...
Authors:Nukaga, M, Hoshino, T, Papp-Wallace, K.M, Bonomo, R.A.
Deposit date:2018-02-06
Release date:2018-03-07
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Probing the Mechanism of Inactivation of the FOX-4 Cephamycinase by Avibactam
Antimicrob. Agents Chemother., 62, 2018
1KE0
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BU of 1ke0 by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-(carboxyvin-2-yl)phenylboronic acid
Descriptor: 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID, PHOSPHATE ION, beta-lactamase
Authors:Powers, R.A, Shoichet, B.K.
Deposit date:2001-11-13
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
1KE3
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BU of 1ke3 by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4,4'-biphenyldiboronic acid
Descriptor: 4,4'-BIPHENYLDIBORONIC ACID, PHOSPHATE ION, beta-lactamase
Authors:Powers, R.A, Shoichet, B.K.
Deposit date:2001-11-14
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
1KDW
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BU of 1kdw by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-carboxyphenylboronic acid
Descriptor: 4-CARBOXYPHENYLBORONIC ACID, PHOSPHATE ION, beta-lactamase
Authors:Powers, R.A, Shoichet, B.K.
Deposit date:2001-11-13
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
1KDS
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BU of 1kds by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 3-nitrophenylboronic acid
Descriptor: 3-NITROPHENYLBORONIC ACID, BETA-LACTAMASE
Authors:Powers, R.A, Shoichet, B.K.
Deposit date:2001-11-13
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
1KVL
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BU of 1kvl by Molmil
X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and Product Forms of Cephalothin
Descriptor: 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, ...
Authors:Beadle, B.M, Trehan, I, Focia, P.J, Shoichet, B.K.
Deposit date:2002-01-27
Release date:2002-03-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase.
Structure, 10, 2002
1KVM
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BU of 1kvm by Molmil
X-ray Crystal Structure of AmpC WT beta-Lactamase in Complex with Covalently Bound Cephalothin
Descriptor: 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, PHOSPHATE ION, beta-lactamase
Authors:Beadle, B.M, Trehan, I, Focia, P.J, Shoichet, B.K.
Deposit date:2002-01-27
Release date:2002-03-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase.
Structure, 10, 2002
1KE4
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BU of 1ke4 by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli
Descriptor: PHOSPHATE ION, beta-lactamase
Authors:Powers, R.A, Shoichet, B.K.
Deposit date:2001-11-14
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
5ZYB
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BU of 5zyb by Molmil
Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ACETATE ION, Beta-lactamase, ...
Authors:Shimizu-Ibuka, A, Furukawa, N.
Deposit date:2018-05-23
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
To Be Published
1LL9
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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
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
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
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
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
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
1L0E
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BU of 1l0e by Molmil
X-ray Crystal Structure of AmpC K67Q 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 (1.9 Å)
Cite:Structural bases of stability-function tradeoffs in enzymes.
J.Mol.Biol., 321, 2002
1MBL
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BU of 1mbl by Molmil
A catalytically-impaired class A beta-lactamase: 2 Angstroms crystal structure and kinetics of the Bacillus licheniformis E166A mutant
Descriptor: BETA-LACTAMASE, SULFATE ION
Authors:Knox, J.R, Moews, P.C.
Deposit date:1992-08-17
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A catalytically-impaired class A beta-lactamase: 2 A crystal structure and kinetics of the Bacillus licheniformis E166A mutant.
Protein Eng., 6, 1993
1MPL
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BU of 1mpl by Molmil
CRYSTAL STRUCTURE OF PHOSPHONATE-INHIBITED D-ALA-D-ALA PEPTIDASE REVEALS AN ANALOG OF A TETRAHEDRAL TRANSITION STATE
Descriptor: D-alanyl-D-alanine carboxypeptidase, GLYCEROL, GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
Authors:Silvaggi, N.R, Anderson, J.W, Brinsmade, S.R, Pratt, R.F, Kelly, J.A.
Deposit date:2002-09-12
Release date:2003-02-25
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:The Crystal Structure of Phosphonate-Inhibited d-Ala-d-Ala Peptidase Reveals an Analogue of a Tetrahedral Transition State.
Biochemistry, 42, 2003
1MXO
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BU of 1mxo by Molmil
AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION
Authors:Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F.
Deposit date:2002-10-02
Release date:2003-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Nanomolar inhibitors of AmpC beta-lactamase.
J.Am.Chem.Soc., 125, 2003
1MY8
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BU of 1my8 by Molmil
AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase
Authors:Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F.
Deposit date:2002-10-03
Release date:2003-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Nanomolar inhibitors of AmpC beta-lactamase.
J.Am.Chem.Soc., 125, 2003
4KG6
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BU of 4kg6 by Molmil
Crystal Structure of AmpC beta-lactamase N152G Mutant from E. coli
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
Deposit date:2013-04-28
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Complexed structures of AmpC beta-lactamase
To be Published
4KG2
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Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime
Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
Authors:Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
Deposit date:2013-04-28
Release date:2014-10-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Complexed structures of AmpC beta-lactamase
To be Published
4KZ7
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Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)
Descriptor: (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-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 (1.43 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014

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