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4PM8
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BU of 4pm8 by Molmil
Crystal structure of CTX-M-14 S70G:S237A beta-lactamase at 1.17 Angstroms resolution
Descriptor: Beta-lactamase CTX-M-14, SULFATE ION
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.169 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
3CMZ
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BU of 3cmz by Molmil
TEM-1 Class-A beta-lactamase L201P mutant apo structure
Descriptor: Beta-lactamase TEM, PHOSPHATE ION
Authors:Marciano, D.C, Wang, X, Wang, J, Chen, Y, Thomas, V.L, Shoichet, B.K, Palzkill, T.
Deposit date:2008-03-24
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Genetic and structural characterization of an L201P global suppressor substitution in TEM-1 beta-lactamase
J.Mol.Biol., 384, 2008
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
4PMA
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Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase at 1.39 Angstroms resolution
Descriptor: Beta-lactamase CTX-M-14, SULFATE ION
Authors:Cardenas, A.M, Adamski, C.J, Brown, N.G, Horton, L.B, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
1JVJ
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BU of 1jvj by Molmil
CRYSTAL STRUCTURE OF N132A MUTANT OF TEM-1 BETA-LACTAMASE IN COMPLEX WITH A N-FORMIMIDOYL-THIENAMYCINE
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 TEM, POTASSIUM ION
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2001-08-30
Release date:2002-03-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Noncovalent interaction energies in covalent complexes: TEM-1 beta-lactamase and beta-lactams.
Proteins, 47, 2002
1JWZ
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BU of 1jwz by Molmil
Crystal structure of TEM-64 beta-lactamase in complex with a boronic acid inhibitor (105)
Descriptor: Beta-lactamase TEM, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2001-09-05
Release date:2002-06-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.
J.Mol.Biol., 320, 2002
1JWV
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Crystal structure of G238A mutant of TEM-1 beta-lactamase in complex with a boronic acid inhibitor (sefb4)
Descriptor: BETA-LACTAMASE TEM, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, POTASSIUM ION
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2001-09-05
Release date:2002-06-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.
J.Mol.Biol., 320, 2002
4PM5
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Crystal structure of CTX-M-14 S70G beta-lactamase in complex with cefotaxime at 1.26 Angstroms resolution
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14, SULFATE ION
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.261 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
3BFG
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class A beta-lactamase SED-G238C 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, Class A beta-lactamase Sed1
Authors:Pernot, L, Petrella, S, Sougakoff, W.
Deposit date:2007-11-21
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:acyl-intermediate structures of the class A beta-lactamase SED-G238C
To be Published
1KGG
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BU of 1kgg by Molmil
STRUCTURE OF BETA-LACTAMASE GLU166GLN:ASN170ASP MUTANT
Descriptor: PROTEIN (BETA-LACTAMASE), SULFATE ION
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:1999-05-20
Release date:1999-05-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Relocation of the catalytic carboxylate group in class A beta-lactamase: the structure and function of the mutant enzyme Glu166-->Gln:Asn170-->Asp.
Protein Eng., 12, 1999
1LI9
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BU of 1li9 by Molmil
Crystal structure of TEM-34 beta-Lactamase at 1.5 Angstrom
Descriptor: Class A beta-Lactamase- TEM-34, PHOSPHATE ION, POTASSIUM ION
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2002-04-17
Release date:2002-09-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
2ZQD
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BU of 2zqd by Molmil
Ceftazidime acyl-intermediate structure of class a beta-lact Toho-1 E166A/R274N/R276N triple mutant
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase Toho-1, SULFATE ION
Authors:Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates
To be Published
4PM7
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BU of 4pm7 by Molmil
Crystal structure of CTX-M-14 S70G:S237A in complex with cefotaxime at 1.29 Angstroms resolution
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
4PM9
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BU of 4pm9 by Molmil
Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase in complex with cefotaxime at 1.45 Angstroms resolution
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14
Authors:Cardenas, A.M, Adamski, C.J, Sankaran, B, Brown, N.G, Horton, L.B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
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:2024-04-03
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
4MBK
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BU of 4mbk by Molmil
Crystal structure of K234R inhibitor-resistant variant of SHV beta-lactamase in complex with SA2-13
Descriptor: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2013-08-19
Release date:2014-07-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Penam sulfones and beta-lactamase inhibition: SA2-13 and the importance of the C2 side chain length and composition.
Plos One, 9, 2014
1NXY
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BU of 1nxy by Molmil
Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2)
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION
Authors:Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
Deposit date:2003-02-11
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
4PM6
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BU of 4pm6 by Molmil
Crystal structure of CTX-M-14 S70G beta-lactamase at 1.56 Angstroms resolution
Descriptor: Beta-lactamase CTX-M-14, SULFATE ION
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
4OQI
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BU of 4oqi by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations
Descriptor: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase
Authors:Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
Deposit date:2014-02-09
Release date:2015-05-20
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
6JN4
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
Descriptor: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN5
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BU of 6jn5 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
Descriptor: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN3
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BU of 6jn3 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.216 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6MEY
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BU of 6mey by Molmil
Crystal structure of KPC-2 with compound 9
Descriptor: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, ACETATE ION, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-09-07
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MIA
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BU of 6mia by Molmil
Crystal structure of CTX-M-14 with compound 6
Descriptor: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-09-19
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MD8
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Crystal structure of CTX-M-14 with compound 3
Descriptor: 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-09-04
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019

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