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3GVB
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BU of 3gvb by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Descriptor: (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-30
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3GV9
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BU of 3gv9 by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Descriptor: 3-(acetylamino)thiophene-2-carboxylic acid, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ...
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-30
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3GTC
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BU of 3gtc by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Descriptor: (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-27
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3GSG
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BU of 3gsg by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Descriptor: (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-26
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3GRJ
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BU of 3grj by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Descriptor: 2-phenyl-1H-imidazole-4-carboxylic acid, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ...
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-25
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3GR2
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BU of 3gr2 by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Descriptor: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-24
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3GQZ
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BU of 3gqz by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Descriptor: (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-24
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3GMW
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BU of 3gmw by Molmil
Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Complex with TEM-1 Beta-Lactamase
Descriptor: B-lactamase, Beta-lactamase inhibitory protein BLIP-I, PHOSPHATE ION
Authors:Lim, D.C, Gretes, M, Strynadka, N.C.J.
Deposit date:2009-03-15
Release date:2009-03-31
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP.
J.Mol.Biol., 389, 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
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
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
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
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
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
3FKW
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BU of 3fkw by Molmil
AmpC K67R mutant apo structure
Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
Authors:Chen, Y, McReynolds, A, Shoichet, B.K.
Deposit date:2008-12-17
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
3FKV
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BU of 3fkv by Molmil
AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb)
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Chen, Y, McReynolds, A, Shoichet, B.K.
Deposit date:2008-12-17
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 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
3DWZ
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BU of 3dwz by Molmil
Meropenem Covalent Adduct with TB Beta-lactamase
Descriptor: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Tremblay, L.W, Hugonnet, J.E, Blanchard, J.S.
Deposit date:2008-07-23
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Meropenem-clavulanate is effective against extensively drug-resistant Mycobacterium tuberculosis
Science, 323, 2009
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
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
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
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
3CG5
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BU of 3cg5 by Molmil
Crystal Structure of the Covalent Adduct Formed between TB B-lactamase and Clavulanate
Descriptor: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase, PHOSPHATE ION
Authors:Tremblay, L.W, Hugonnet, J.E, Blanchard, J.S.
Deposit date:2008-03-04
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the covalent adduct formed between Mycobacterium tuberculosis beta-lactamase and clavulanate.
Biochemistry, 47, 2008

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