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3HL9
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3hl9
SIMVASTATIN SYNTHASE (LOVD) FROM ASPERGILLUS TERREUS, UNLIGANDED
Descriptor:Transesterase
Authors:Sawaya, M.R., Yeates, T.O., Laidman, J., Pashkov, I., Gao, X., Tang, Y.
Deposit date:2009-05-27
Release date:2009-10-27
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
1BLS
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1bls
CRYSTALLOGRAPHIC STRUCTURE OF A PHOSPHONATE DERIVATIVE OF THE ENTEROBACTER CLOACAE P99 CEPHALOSPORINASE: MECHANISTIC INTERPRETATION OF A BETA-LACTAMASE TRANSITION STATE ANALOG
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6) (CEPHALOSPORINASE) COMPLEXED WITH A PHOSPHONATE INHIBITOR
Authors:Knox, J.R., Moews, P.C., Lobkovsky, E.
Deposit date:1993-12-17
Release date:1995-05-08
Modification date:2009-02-24
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
1C3B
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1c3b
AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR, BENZO(B)THIOPHENE-2-BORONIC ACID (BZB)
Descriptor:CEPHALOSPORINASE
Authors:Powers, R.A., Blazquez, J., Weston, G.S., Morosini, M.I., Baquero, F., Shoichet, B.K.
Deposit date:1999-07-27
Release date:1999-11-24
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The complexed structure and antimicrobial activity of a non-beta-lactam inhibitor of AmpC beta-lactamase.
Protein Sci., 8, 1999
1CEF
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1cef
CEFOTAXIME COMPLEXED WITH THE STREPTOMYCES R61 DD-PEPTIDASE
Descriptor:D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE, CEFOTAXIME GROUP
Authors:Knox, J.R., Kuzin, A.P.
Deposit date:1995-01-12
Release date:1996-10-14
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
1CEG
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1ceg
CEPHALOTHIN COMPLEXED WITH DD-PEPTIDASE
Descriptor:D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE, CEPHALOTHIN GROUP
Authors:Knox, J.R., Kuzin, A.P.
Deposit date:1995-01-12
Release date:1996-10-14
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
1CI8
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1ci8
ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI: AN ESTERASE WITH (BETA)-LACTAMASE FOLD.
Descriptor:CARBOXYLESTERASE (E.C.3.1.1.1)
Authors:Wagner, U.G., Petersen, E.I., Schwab, H., Kratky, C.
Deposit date:1999-04-08
Release date:2001-12-12
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:EstB from Burkholderia gladioli: a novel esterase with a beta-lactamase fold reveals steric factors to discriminate between esterolytic and beta-lactam cleaving activity
Protein Sci., 11, 2002
1CI9
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1ci9
DFP-INHIBITED ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI
Descriptor:CARBOXYLESTERASE E.C.3.1.1.1) + DI(ISOPROPYL)PHOSPHATE
Authors:Wagner, U.G., Petersen, E.I., Schwab, H., Kratky, C.
Deposit date:1999-04-08
Release date:2001-12-12
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:EstB from Burkholderia gladioli: a novel esterase with a beta-lactamase fold reveals steric factors to discriminate between esterolytic and beta-lactam cleaving activity
Protein Sci., 11, 2002
1FCM
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1fcm
CRYSTAL STRUCTURE OF THE E.COLI AMPC BETA-LACTAMASE MUTANT Q120L/Y150E COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, CLOXACILLIN
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6)/INHIBITOR COMPLEX
Authors:Patera, A., Blaszczak, L.C., Shoichet, B.K.
Deposit date:2000-07-18
Release date:2000-12-04
Modification date:2011-08-24
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis
J.Am.Chem.Soc., 122, 2000
1FCN
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1fcn
CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT Q120L/Y150E COVALENTLY ACYLATED WITH THE SUBSTRATE BETA-LACTAM LORACARBEF
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6)/INHIBITOR COMPLEX
Authors:Patera, A., Blaszczak, L.C., Shoichet, B.K.
Deposit date:2000-07-18
Release date:2000-12-04
Modification date:2011-08-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis
J.Am.Chem.Soc., 122, 2000
1FCO
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1fco
CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6)/INHIBITOR COMPLEX
Authors:Patera, A., Blaszczak, L.C., Shoichet, B.K.
Deposit date:2000-07-19
Release date:2000-12-04
Modification date:2011-08-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis
J.Am.Chem.Soc., 122, 2000
1FR1
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1fr1
REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM CITROBACTER FREUNDII INDICATES A MECHANISM FOR BETA-LACTAM HYDROLYSIS
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6)
Authors:Oefner, C., D'Arcy, A., Daly, J.J., Winkler, F.K.
Deposit date:2000-09-07
Release date:2001-01-17
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined crystal structure of beta-lactamase from Citrobacter freundii indicates a mechanism for beta-lactam hydrolysis.
Nature, 343, 1990
1FR6
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1fr6
REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM CITROBACTER FREUNDII INDICATES A MECHANISM FOR BETA-LACTAM HYDROLYSIS
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6)
Authors:Oefner, C., D'Arcy, A., Daly, J.J., Winkler, F.K.
Deposit date:2000-09-07
Release date:2001-01-17
Modification date:2011-08-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refined crystal structure of beta-lactamase from Citrobacter freundii indicates a mechanism for beta-lactam hydrolysis.
Nature, 343, 1990
1FSW
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1fsw
AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID
Descriptor:CEPHALOSPORINASE (E.C.3.5.2.6)
Authors:Caselli, E., Powers, R.A., Blaszczak, L.C., Wu, C.Y., Prati, F., Shoichet, B.K.
Deposit date:2000-09-11
Release date:2001-03-14
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
1FSY
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1fsy
AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID
Descriptor:CEPHALOSPORINASE (E.C.3.5.2.6)
Authors:Caselli, E., Powers, R.A., Blasczcak, L.C., Wu, C.Y., Prati, F., Shoichet, B.K.
Deposit date:2000-09-11
Release date:2001-03-14
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
1GA0
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1ga0
STRUCTURE OF THE E. CLOACAE GC1 BETA-LACTAMASE WITH A CEPHALOSPORIN SULFONE INHIBITOR
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6)
Authors:Crichlow, G.V., Nukaga, M., Buynak, J.D., Knox, J.R.
Deposit date:2000-11-28
Release date:2001-06-06
Modification date:2011-11-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibition of class C beta-lactamases: structure of a reaction intermediate with a cephem sulfone.
Biochemistry, 40, 2001
1GA9
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1ga9
CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID)
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6)
Authors:Tondi, D., Powers, R.A., Caselli, E., Negri, M.C., Blazquez, J., Costi, M.P., Shoichet, B.K.
Deposit date:2000-11-29
Release date:2001-07-25
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase.
Chem.Biol., 8, 2001
1GCE
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1gce
STRUCTURE OF THE BETA-LACTAMASE OF ENTEROBACTER CLOACAE GC1
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6)
Authors:Crichlow, G.V., Kuzin, A.P., Nukaga, M., Sawai, T., Knox, J.R.
Deposit date:1999-05-17
Release date:1999-08-27
Modification date:2011-11-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the extended-spectrum class C beta-lactamase of Enterobacter cloacae GC1, a natural mutant with a tandem tripeptide insertion.
Biochemistry, 38, 1999
1HVB
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1hvb
CRYSTAL STRUCTURE OF STREPTOMYCES R61 DD-PEPTIDASE COMPLEXED WITH A NOVEL CEPHALOSPORIN ANALOG OF CELL WALL PEPTIDOGLYCAN
Descriptor:D-ALANYL-D-ALANINE CARBOXYPEPTIDASE (E.C.3.4.16.4)
Authors:McDonough, M.A., Lee, W., Silvaggi, N.R., Mobashery, S., Kelly, J.A.
Deposit date:2001-01-08
Release date:2001-02-07
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:A 1.2-A snapshot of the final step of bacterial cell wall biosynthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
1I5Q
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1i5q
CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT N152A COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6)
Authors:Trehan, I., Beadle, B.M., Shoichet, B.K.
Deposit date:2001-02-28
Release date:2001-06-20
Modification date:2011-08-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Inhibition of AmpC beta-lactamase through a destabilizing interaction in the active site.
Biochemistry, 40, 2001
1IEL
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1iel
CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI IN COMPLEX WITH CEFTAZIDIME
Descriptor:beta-lactamase (E.C.3.5.2.6)
Authors:Powers, R.A., Caselli, E., Focia, P.J., Prati, F., Shoichet, B.K.
Deposit date:2001-04-10
Release date:2001-08-15
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
1IEM
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1iem
CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI IN COMPLEX WITH A BORONIC ACID INHIBITOR (1, CEFB4)
Descriptor:beta-lactamase (E.C.3.5.2.6)
Authors:Powers, R.A., Caselli, E., Focia, P.J., Prati, F., Shoichet, B.K.
Deposit date:2001-04-10
Release date:2001-08-15
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
1IKG
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1ikg
MICHAELIS COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
Descriptor:D-ALANYL-D-ALANINE CARBOXYPEPTIDASE (E.C.3.4.16.4)
Authors:Mcdonough, M.A., Anderson, J.W., Silvaggi, N.R., Pratt, R.F., Knox, J.R., Kelly, J.A.
Deposit date:2001-05-03
Release date:2002-09-11
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
1IKI
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1iki
COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
Descriptor:D-ALANYL-D-ALANINE CARBOXYPEPTIDASE (E.C.3.4.16.4)
Authors:Mcdonough, M.A., Anderson, J.W., Silvaggi, N.R., Pratt, R.F., Knox, J.R., Kelly, J.A.
Deposit date:2001-05-03
Release date:2002-09-11
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
1KDS
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1kds
X-RAY CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI IN COMPLEX WITH THE INHIBITOR 3-NITROPHENYLBORONIC ACID
Descriptor:BETA-LACTAMASE (E.C.3.5.2.6)
Authors:Powers, R.A., Shoichet, B.K.
Deposit date:2001-11-13
Release date:2002-07-17
Modification date:2009-02-24
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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1kdw
X-RAY CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI IN COMPLEX WITH THE INHIBITOR 4-CARBOXYPHENYLBORONIC ACID
Descriptor:beta-lactamase (E.C.3.5.2.6)
Authors:Powers, R.A., Shoichet, B.K.
Deposit date:2001-11-13
Release date:2002-07-17
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
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