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7DOO
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BU of 7doo by Molmil
Crystal Structure of PenA beta-Lactamase-Avibactam Complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Nukaga, M, Papp-Wallace, K.M, Bonomo, R.A.
Deposit date:2020-12-15
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Overcoming an Extremely Drug Resistant (XDR) Pathogen: Avibactam Restores Susceptibility to Ceftazidime for Burkholderia cepacia Complex Isolates from Cystic Fibrosis Patients.
Acs Infect Dis., 3, 2017
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
2ZD8
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BU of 2zd8 by Molmil
SHV-1 class A beta-lactamase complexed with meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Nukaga, M, Knox, J.R, Hujer, A, Bonomo, R.A.
Deposit date:2007-11-20
Release date:2008-09-30
Last modified:2023-11-01
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
1VM1
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BU of 1vm1 by Molmil
STRUCTURE OF SHV-1 BETA-LACTAMASE INHIBITED BY TAZOBACTAM
Descriptor: ACRYLIC ACID, 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:2004-08-27
Release date:2004-09-07
Last modified:2024-03-13
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
2A3U
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BU of 2a3u by Molmil
Crystal structure of sulbactam bound to E166A variant of SHV-1 beta-lactamase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, 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:2021-10-20
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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BU of 2a49 by Molmil
Crystal structure of clavulanic acid bound to E166A variant of SHV-1 beta-lactamase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, 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:2021-10-20
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
4MLL
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The 1.4 A structure of the class D beta-lactamase OXA-1 K70D complexed with oxacillin
Descriptor: (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-carb oxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1, ...
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:2023-09-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural Origins of Oxacillinase Specificity in Class D beta-Lactamases.
Antimicrob.Agents Chemother., 58, 2014
1TDG
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BU of 1tdg by Molmil
Complex of S130G SHV-1 beta-lactamase with tazobactam
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase SHV-1, ...
Authors:Sun, T, Bethel, C.R, Bonomo, R.A, Knox, J.R.
Deposit date:2004-05-21
Release date:2004-11-23
Last modified:2023-08-23
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: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Sun, T, Bethel, C.R, Bonomo, R.A, Knox, J.R.
Deposit date:2004-05-23
Release date:2004-11-23
Last modified:2023-08-23
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
4F94
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BU of 4f94 by Molmil
Structure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin
Descriptor: (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-carb oxylic acid, Beta-lactamase, 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:2023-09-13
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
3W4P
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BU of 3w4p by Molmil
Crystal structure of PenI beta-lactamase from Burkholderia pseudomallei at pH7.5
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
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:2024-03-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Insights into beta-lactamases from Burkholderia species, two phylogenetically related yet distinct resistance determinants
J.Biol.Chem., 288, 2013
3W4Q
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Crystal structure of PenA beta-lactamase from Burkholderia multivorans at pH4.2
Descriptor: Beta-lactamase
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:2024-03-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Insights into beta-lactamases from Burkholderia species, two phylogenetically related yet distinct resistance determinants
J.Biol.Chem., 288, 2013
3W4O
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BU of 3w4o by Molmil
Crystal structure of PenI beta-lactamase from Burkholderia pseudomallei at pH9.5
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-lactamase, 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:2023-11-08
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
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:2021-10-20
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:2021-10-20
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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BU of 3d4f by Molmil
SHV-1 beta-lactamase complex with LN1-255
Descriptor: (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
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
3E2L
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BU of 3e2l by Molmil
Crystal Structure of the KPC-2 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP)
Descriptor: Beta-lactamase inhibitory protein, Carbapenemase
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:2021-10-20
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
3E2K
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BU of 3e2k by Molmil
Crystal Structure of the KPC-2 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP)
Descriptor: Beta-lactamase inhibitory protein, Carbapenemase
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:2021-10-20
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
3FV7
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BU of 3fv7 by Molmil
OXA-24 beta-lactamase complex with SA4-44 inhibitor
Descriptor: (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24
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:2023-11-22
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
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
1N9B
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BU of 1n9b by Molmil
Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and specificity of the extended-spectrum SHV-2 enzyme
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-LACTAMASE SHV-2, ...
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:2023-08-16
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: 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, BETA-LACTAMASE SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Nukaga, M, Mayama, K, Bonomo, R.A, Knox, J.R.
Deposit date:2003-02-27
Release date:2003-12-09
Last modified:2023-08-16
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: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, beta-lactamase SHV-1
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:2023-08-16
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: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, GLYCEROL, class C beta-lactamase
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:2023-08-16
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

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