Author results

1VM1
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STRUCTURE OF SHV-1 BETA-LACTAMASE INHIBITED BY TAZOBACTAM
Descriptor:BETA-LACTAMASE SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, TAZOBACTAM INTERMEDIATE, ...
Authors:Kuzin, A.P., Nukaga, M., Nukaga, Y., Hujer, A., Bonomo, R.A., Knox, J.R.
Deposit date:2004-08-27
Release date:2004-09-07
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Inhibition of the SHV-1 beta-lactamase by sulfones: crystallographic observation of two reaction intermediates with tazobactam.
Biochemistry, 40, 2001
4F94
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STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-24 K84D IN ACYL-ENZYME COMPLEX WITH OXACILLIN
Descriptor:Beta-lactamase, (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid, SULFATE ION
Authors:June, C.M., Vallier, B.C., Bonomo, R.A., Leonard, D.A., Powers, R.A.
Deposit date:2012-05-18
Release date:2013-08-14
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin
To be Published
4MLL
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THE 1.4 A STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-1 K70D COMPLEXED WITH OXACILLIN
Descriptor:Beta-lactamase OXA-1, (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid, PHOSPHATE ION, ...
Authors:June, C.M., Vallier, B.C., Bonomo, R.A., Leonard, D.A., Powers, R.A.
Deposit date:2013-09-06
Release date:2013-10-09
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural Origins of Oxacillinase Specificity in Class D beta-Lactamases.
Antimicrob.Agents Chemother., 58, 2014
1N9B
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ULTRAHIGH RESOLUTION STRUCTURE OF A CLASS A BETA-LACTAMASE: ON THE MECHANISM AND SPECIFICITY OF THE EXTENDED-SPECTRUM SHV-2 ENZYME
Descriptor:BETA-LACTAMASE SHV-2, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nukaga, M., Mayama, K., Hujer, A.M., Bonomo, R.A., Knox, J.R.
Deposit date:2002-11-22
Release date:2003-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and specificity of the extended-spectrum SHV-2 enzyme
J.Mol.Biol., 328, 2003
1ONG
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SHV-1 BETA-LACTAMASE WITH A PENEM INHIBITOR
Descriptor:BETA-LACTAMASE SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID
Authors:Nukaga, M., Mayama, K., Bonomo, R.A., Knox, J.R.
Deposit date:2003-02-27
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate
Biochemistry, 42, 2003
1Q2P
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SHV-1 CLASS A BETA-LACTAMASE COMPLEXED WITH PENEM WAY185229
Descriptor:beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID
Authors:Nukaga, M., Venkatesan, A.M., Mansour, T.S., Hujer, A., Bonomo, R.A., Knox, J.R.
Deposit date:2003-07-25
Release date:2004-09-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
1Q2Q
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ENTEROBACTER CLOACAE GC1 CLASS C BETA-LACTAMASE COMPLEXED WITH PENEM WAY185229
Descriptor:class C beta-lactamase, (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, GLYCEROL
Authors:Nukaga, M., Venkatesan, A.M., Mansour, T.S., Hujer, A., Bonomo, R.A., Knox, J.R.
Deposit date:2003-07-25
Release date:2004-09-14
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
1RCJ
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CRYSTAL STRUCTURE OF E166A MUTANT OF SHV-1 BETA-LACTAMASE WITH THE TRANS-ENAMINE INTERMEDIATE OF TAZOBACTAM
Descriptor:Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, TAZOBACTAM TRANS-ENAMINE INTERMEDIATE
Authors:Padayatti, P.S., Helfand, M.S., Totir, M.A., Carey, M.P., Hujer, A.M., Carey, P.R., Bonomo, R.A., van den Akker, F.
Deposit date:2003-11-04
Release date:2004-02-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Tazobactam Forms a Stoichiometric trans-Enamine Intermediate in the E166A Variant of SHV-1 beta-Lactamase: 1.63 A Crystal Structure
Biochemistry, 43, 2004
1SHV
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STRUCTURE OF SHV-1 BETA-LACTAMASE
Descriptor:PROTEIN (BETA-LACTAMASE SHV-1), CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Kuzin, A.P., Nukaga, M., Nukaga, Y., Hujer, A., Bonomo, R.A., Knox, J.R.
Deposit date:1999-02-23
Release date:1999-05-06
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the SHV-1 beta-lactamase.
Biochemistry, 38, 1999
1TDG
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COMPLEX OF S130G SHV-1 BETA-LACTAMASE WITH TAZOBACTAM
Descriptor:Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, TAZOBACTAM INTERMEDIATE, ...
Authors:Sun, T., Bethel, C.R., Bonomo, R.A., Knox, J.R.
Deposit date:2004-05-21
Release date:2004-11-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor-resistant class A beta-lactamases: consequences of the Ser130-to-Gly mutation seen in Apo and tazobactam structures of the SHV-1 variant
Biochemistry, 43, 2004
1TDL
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STRUCTURE OF SER130GLY SHV-1 BETA-LACTAMASE
Descriptor:Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Sun, T., Bethel, C.R., Bonomo, R.A., Knox, J.R.
Deposit date:2004-05-23
Release date:2004-11-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor-resistant class A beta-lactamases: consequences of the Ser130-to-Gly mutation seen in Apo and tazobactam structures of the SHV-1 variant
Biochemistry, 43, 2004
2A3U
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CRYSTAL STRUCTURE OF SULBACTAM BOUND TO E166A VARIANT OF SHV-1 BETA-LACTAMASE
Descriptor:Beta-lactamase SHV-1, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ...
Authors:Padayatti, P.S., Helfand, M.S., Totir, M.A., Carey, M.P., Carey, P.R., Bonomo, R.A., van den Akker, F.
Deposit date:2005-06-27
Release date:2005-08-02
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:High Resolution Crystal Structures of the trans-Enamine Intermediates Formed by Sulbactam and Clavulanic Acid and E166A SHV-1 {beta}-Lactamase.
J.Biol.Chem., 280, 2005
2A49
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CRYSTAL STRUCTURE OF CLAVULANIC ACID BOUND TO E166A VARIANT OF SHV-1 BETA-LACTAMASE
Descriptor:Beta-lactamase SHV-1, N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ...
Authors:Padayatti, P.S., Helfand, M.S., Totir, M.A., Carey, M.P., Carey, P.R., Bonomo, R.A., van den Akker, F.
Deposit date:2005-06-28
Release date:2005-08-02
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:High Resolution Crystal Structures of the trans-Enamine Intermediates Formed by Sulbactam and Clavulanic Acid and E166A SHV-1 {beta}-Lactamase.
J.Biol.Chem., 280, 2005
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:2017-10-18
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
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:2017-10-18
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
2OV5
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CRYSTAL STRUCTURE OF THE KPC-2 CARBAPENEMASE
Descriptor:Carbapenemase, BICINE
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:2011-07-13
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
2ZD8
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SHV-1 CLASS A BETA-LACTAMASE COMPLEXED WITH MEROPENEM
Descriptor:Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
Authors:Nukaga, M., Knox, J.R., Hujer, A., Bonomo, R.A.
Deposit date:2007-11-20
Release date:2008-09-30
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Inhibition of class A beta-lactamases by carbapenems: crystallographic observation of two conformations of meropenem in SHV-1.
J.Am.Chem.Soc., 130, 2008
3C4O
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CRYSTAL STRUCTURE OF THE SHV-1 BETA-LACTAMASE/BETA-LACTAMASE INHIBITOR PROTEIN (BLIP) E73M/S130K/S146M COMPLEX
Descriptor:Beta-lactamase SHV-1, Beta-lactamase inhibitory protein, SULFATE ION
Authors:Reynolds, K.A., Hanes, M.S., Thomson, J.M., Antczak, A.J., Berger, J.M., Bonomo, R.A., Kirsch, J.F., Handel, T.M.
Deposit date:2008-01-30
Release date:2008-05-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational redesign of the SHV-1 beta-lactamase/beta-lactamase inhibitor protein interface.
J.Mol.Biol., 382, 2008
3C4P
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CRYSTAL STRUCTURE OF THE SHV-1 BETA-LACTAMASE/BETA-LACTAMASE INHIBITOR PROTEIN (BLIP) E73M COMPLEX
Descriptor:Beta-lactamase SHV-1, Beta-lactamase inhibitory protein, SULFATE ION
Authors:Reynolds, K.A., Hanes, M.S., Thomson, J.M., Antczak, A.J., Berger, J.M., Bonomo, R.A., Kirsch, J.F., Handel, T.M.
Deposit date:2008-01-30
Release date:2008-05-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Computational redesign of the SHV-1 beta-lactamase/beta-lactamase inhibitor protein interface.
J.Mol.Biol., 382, 2008
3D4F
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SHV-1 BETA-LACTAMASE COMPLEX WITH LN1-255
Descriptor:Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
Authors:Pattanaik, P., Bethel, C.R., Hujer, A.M., Bonomo, R.A., Buynak, J.D., van den Akker, F.
Deposit date:2008-05-14
Release date:2009-02-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Strategic Design of an Effective {beta}-Lactamase Inhibitor: LN-1-255, A 6-ALKYLIDENE-2'-SUBSTITUTED PENICILLIN SULFONE
J.Biol.Chem., 284, 2009
3E2K
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CRYSTAL STRUCTURE OF THE KPC-2 BETA-LACTAMASE/BETA-LACTAMASE INHIBITOR PROTEIN (BLIP)
Descriptor:Carbapenemase, Beta-lactamase inhibitory protein
Authors:Hanes, M.S., Jude, K.M., Berger, J.M., Bonomo, R.A., Handel, T.M.
Deposit date:2008-08-05
Release date:2009-08-04
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical characterization of the interaction between KPC-2 beta-lactamase and beta-lactamase inhibitor protein
Biochemistry, 48, 2009
3E2L
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CRYSTAL STRUCTURE OF THE KPC-2 BETA-LACTAMASE/BETA-LACTAMASE INHIBITOR PROTEIN (BLIP)
Descriptor:Carbapenemase, Beta-lactamase inhibitory protein
Authors:Hanes, M.S., Jude, K.M., Berger, J.M., Kirsch, J.F., Bonomo, R.A., Handel, T.M.
Deposit date:2008-08-05
Release date:2009-08-04
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural and biochemical characterization of the interaction between KPC-2 beta-lactamase and beta-lactamase inhibitor protein
Biochemistry, 48, 2009
3FV7
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OXA-24 BETA-LACTAMASE COMPLEX WITH SA4-44 INHIBITOR
Descriptor:Beta-lactamase OXA-24, (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid
Authors:Bou, G., Santillana, E., Sheri, A., Beceiro, A., Sampson, J.M., Kalp, M., Bethel, C.R., Distler, A.M., Drawz, S.M., Pagadala, S.R., Van den Akker, F., Bonomo, R.A., Romero, A., Buynak, J.D.
Deposit date:2009-01-15
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
3N4I
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CRYSTAL STRUCTURE OF THE SHV-1 D104E BETA-LACTAMASE/BETA-LACTAMASE INHIBITOR PROTEIN (BLIP) COMPLEX
Descriptor:Beta-lactamase SHV-1, Beta-lactamase inhibitory protein
Authors:Hanes, M.S., Reynolds, K.A., McNamara, C., Ghosh, P., Bonomo, R.A., Kirsch, J.F., Handel, T.M.
Deposit date:2010-05-21
Release date:2011-03-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Specificity and Cooperativity at beta-lactamase Position 104 in TEM-1/BLIP and SHV-1/BLIP interactions
Proteins, 79, 2011
3W4O
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CRYSTAL STRUCTURE OF PENI BETA-LACTAMASE FROM BURKHOLDERIA PSEUDOMALLEI AT PH9.5
Descriptor:Beta-lactamase, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL
Authors:Nukaga, M., Ohuchi, N., Papp-Wallace, K.M., Taracila, M.A., Bonomo, R.A.
Deposit date:2013-01-10
Release date:2013-05-15
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Insights into beta-lactamases from Burkholderia species, two phylogenetically related yet distinct resistance determinants
J.Biol.Chem., 288, 2013