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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
1HZO
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BU of 1hzo by Molmil
STRUCTURE OF CLASS A CEPHALOSPORINASE FROM PROTEUS VULGARIS K1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-LACTAMASE
Authors:Nukaga, M, Crichlow, G.V, Kuzin, A.P, Mayama, K, Knox, J.R.
Deposit date:2001-01-25
Release date:2002-04-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of an extended-spectrum class A beta-lactamase from Proteus vulgaris K1.
J.Mol.Biol., 317, 2002
3Q07
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BU of 3q07 by Molmil
CTX-M-9 S70G in complex with piperacillin
Descriptor: Beta-lactamase, Hydrolyzed piperacillin, Piperacillin
Authors:Delmas, J, Leyssne, D, Robin, F, Coignoux, A, Bonnet, R.
Deposit date:2010-12-15
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:CTX-M-9 S70G mutant in complex with piperacillin
To be Published
6U58
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BU of 6u58 by Molmil
Toho1 Beta Lactamase Glu166Gln Mutant
Descriptor: Beta-lactamase, SULFATE ION
Authors:Langan, P.S, Sullivan, B, Weiss, K.L.
Deposit date:2019-08-27
Release date:2020-02-19
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:Probing the Role of the Conserved Residue Glu166 in a Class A Beta-Lactamase Using Neutron and X-ray Protein Crystallography
Acta Crystallogr.,Sect.D, 76, 2020
3G34
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BU of 3g34 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE)
Descriptor: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G2Z
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BU of 3g2z by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 2 (GZ2)
Descriptor: 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G35
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BU of 3g35 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)
Descriptor: 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3DTM
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BU of 3dtm by Molmil
Increased folding stability of TEM-1 beta-lactamase by in-vitro selection
Descriptor: Beta-lactamase
Authors:Kather, I, Jakob, R.P, Dobbek, H, Schmid, F.X.
Deposit date:2008-07-15
Release date:2008-08-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increased folding stability of TEM-1 beta-lactamase by in vitro selection
J.Mol.Biol., 383, 2008
3DW0
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BU of 3dw0 by Molmil
Crystal structure of the class A carbapenemase KPC-2 at 1.6 angstrom resolution
Descriptor: Class A carbapenemase KPC-2
Authors:Petrella, S, Ziental-Gelus, N, Mayer, C, Jarlier, V, Sougakoff, W.
Deposit date:2008-07-21
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Genetic and structural insights into the dissemination potential of the extremely broad-spectrum class A beta-lactamase KPC-2 identified in an Escherichia coli strain and an Enterobacter cloacae strain isolated from the same patient in France.
Antimicrob.Agents Chemother., 52, 2008
3G31
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BU of 3g31 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 4 (GF1)
Descriptor: (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G30
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BU of 3g30 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 3 (G30)
Descriptor: (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid, Beta-lactamase CTX-M-9a
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G32
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BU of 3g32 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 6 (3G3)
Descriptor: 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G2Y
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BU of 3g2y by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 1 (GF4)
Descriptor: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3TSG
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BU of 3tsg by Molmil
Crystal structure of GES-14
Descriptor: Extended-spectrum beta-lactamase GES-14, GLYCEROL, IODIDE ION
Authors:Delbruck, H, Hoffmann, K.M.V, Bebrone, C.
Deposit date:2011-09-13
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and crystallographic studies of extended-spectrum GES-11, GES-12, and GES-14 beta-lactamases.
Antimicrob.Agents Chemother., 56, 2012
4GD6
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BU of 4gd6 by Molmil
SHV-1 beta-lactamase in complex with penam sulfone SA1-204
Descriptor: (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:van den Akker, F, Wei, K.
Deposit date:2012-07-31
Release date:2013-07-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
4GDB
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BU of 4gdb by Molmil
SHV-1 in complex with 4H-pyrazolo[1,5-c][1,3]thiazole containing penem inhibitor
Descriptor: (7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ...
Authors:Ke, W, van den Akker, F.
Deposit date:2012-07-31
Release date:2013-07-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
4GKU
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BU of 4gku by Molmil
Crystal structure of beta lactamase in PET-15B
Descriptor: Beta-lactamase TEM
Authors:Zhang, Y, Cao, C.
Deposit date:2012-08-13
Release date:2012-10-10
Method:X-RAY DIFFRACTION (1.915 Å)
Cite:Crystal structure of beta lactamase in PET-15B
To be published
4GD8
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BU of 4gd8 by Molmil
SHV-1 beta-lactamase in complex with penam sulfone SA3-53
Descriptor: (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Pattanaik, P, van den Akker, F.
Deposit date:2012-07-31
Release date:2013-07-31
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
4GOG
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BU of 4gog by Molmil
Crystal structure of the GES-1 imipenem acyl-enzyme complex
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase GES-1, IODIDE ION, ...
Authors:Smith, C.A, Vakulenko, S.B, Munoz, J.
Deposit date:2012-08-20
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4GNU
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BU of 4gnu by Molmil
Crystal structure of GES-5 carbapenemase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2012-08-17
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4H8R
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BU of 4h8r by Molmil
Imipenem complex of GES-5 carbapenemase
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, Extended-spectrum beta-lactamase GES-5, IODIDE ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2012-09-23
Release date:2013-07-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4HBT
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BU of 4hbt by Molmil
Crystal structure of native CTX-M-15 extended-spectrum beta-lactamase
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Docquier, J.D, Benvenuti, M, Bruneau, J.M, Rossolini, G.M, Miossec, C, Black, M.T, Mangani, S.
Deposit date:2012-09-28
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases
Antimicrob.Agents Chemother., 57, 2013
4IBR
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BU of 4ibr by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S/E104K mutations
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, TEM-94 ES-beta-lactamase
Authors:Dellus-Gur, E, Toth-Petroczy, A, Elias, M, Tawfik, D.S.
Deposit date:2012-12-09
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:What Makes a Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-offs.
J.Mol.Biol., 425, 2013
4IBX
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BU of 4ibx by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, CALCIUM ION, ...
Authors:Dellus-Gur, E, Toth-Petroczy, A, Elias, M, Tawfik, D.S.
Deposit date:2012-12-09
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:What Makes a Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-offs.
J.Mol.Biol., 425, 2013
4HBU
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BU of 4hbu by Molmil
Crystal structure of CTX-M-15 extended-spectrum beta-lactamase in complex with avibactam (NXL104)
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Docquier, J.D, Benvenuti, M, Bruneau, J.M, Rossolini, G.M, Miossec, C, Black, M.T, Mangani, S.
Deposit date:2012-09-28
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases
Antimicrob.Agents Chemother., 57, 2013

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