4MBF
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4MEZ
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![BU of 4mez by Molmil](/molmil-images/mine/4mez) | Crystal structure of M68L/M69T double mutant TEM-1 | Descriptor: | Beta-lactamase TEM, CHLORIDE ION, GLYCEROL, ... | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | Deposit date: | 2013-08-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function. Sci Rep, 9, 2019
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1HZO
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![BU of 1hzo by Molmil](/molmil-images/mine/1hzo) | 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
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1HTZ
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![BU of 1htz by Molmil](/molmil-images/mine/1htz) | CRYSTAL STRUCTURE OF TEM52 BETA-LACTAMASE | Descriptor: | BETA-LACTAMASE MUTANT TEM52 | Authors: | Stevens, R.C, Orencia, M.C. | Deposit date: | 2001-01-03 | Release date: | 2001-03-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Predicting the emergence of antibiotic resistance by directed evolution and structural analysis. Nat.Struct.Biol., 8, 2001
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6J25
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![BU of 6j25 by Molmil](/molmil-images/mine/6j25) | CTX-M-64 beta-lactamase mutant-S130T | Descriptor: | Beta-lactamase | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2018-12-30 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution. Acs Infect Dis., 6, 2020
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6J8Q
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![BU of 6j8q by Molmil](/molmil-images/mine/6j8q) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-01-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.787 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
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1IYS
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![BU of 1iys by Molmil](/molmil-images/mine/1iys) | Crystal Structure of Class A beta-Lactamase Toho-1 | Descriptor: | BETA-LACTAMASE TOHO-1, SULFATE ION | Authors: | Ibuka, A.S, Ishii, Y, Yamaguchi, K, Matsuzawa, H, Sakai, H. | Deposit date: | 2002-09-06 | Release date: | 2003-10-14 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Extended-Spectrum beta-Lactamase Toho-1: Insights into the Molecular Mechanism for
Catalytic Reaction and Substrate Specificity Expansion Biochemistry, 42, 2003
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1IYO
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![BU of 1iyo by Molmil](/molmil-images/mine/1iyo) | Toho-1 beta-Lactamase In Complex With Cefotaxime | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H. | Deposit date: | 2002-09-04 | Release date: | 2002-12-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin. J.Biol.Chem., 277, 2002
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6JN4
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![BU of 6jn4 by Molmil](/molmil-images/mine/6jn4) | 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
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6JN5
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![BU of 6jn5 by Molmil](/molmil-images/mine/6jn5) | 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
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1IYQ
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![BU of 1iyq by Molmil](/molmil-images/mine/1iyq) | Toho-1 beta-Lactamase In Complex With Benzylpenicillin | Descriptor: | OPEN FORM - PENICILLIN G, SULFATE ION, Toho-1 beta-lactamase | Authors: | Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H. | Deposit date: | 2002-09-04 | Release date: | 2002-12-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin. J.Biol.Chem., 277, 2002
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6JN3
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![BU of 6jn3 by Molmil](/molmil-images/mine/6jn3) | 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
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3G2Z
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1IYP
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![BU of 1iyp by Molmil](/molmil-images/mine/1iyp) | Toho-1 beta-Lactamase In Complex With Cephalothin | Descriptor: | CEPHALOTHIN GROUP, SULFATE ION, Toho-1 beta-lactamase | Authors: | Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H. | Deposit date: | 2002-09-04 | Release date: | 2002-12-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin. J.Biol.Chem., 277, 2002
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3G35
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1JTD
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![BU of 1jtd by Molmil](/molmil-images/mine/1jtd) | Crystal structure of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase | Descriptor: | CALCIUM ION, TEM-1 beta-lactamase, beta-lactamase inhibitor protein II | Authors: | Lim, D.C, Park, H.U, De Castro, L, Kang, S.G, Lee, H.S, Jensen, S, Lee, K.J, Strynadka, N.C.J. | Deposit date: | 2001-08-20 | Release date: | 2001-10-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure and kinetic analysis of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase. Nat.Struct.Biol., 8, 2001
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3G31
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![BU of 3g31 by Molmil](/molmil-images/mine/3g31) | 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
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3G30
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3G32
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![BU of 3g32 by Molmil](/molmil-images/mine/3g32) | 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
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3G2Y
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![BU of 3g2y by Molmil](/molmil-images/mine/3g2y) | 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
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1JWP
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3HVF
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![BU of 3hvf by Molmil](/molmil-images/mine/3hvf) | X-ray crystallographic structure of CTX-M-9 S70G in complex with hydrolyzed benzylpenicillin | Descriptor: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase | Authors: | Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R. | Deposit date: | 2009-06-16 | Release date: | 2010-05-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into substrate recognition and product expulsion in CTX-M enzymes. J.Mol.Biol., 400, 2010
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3HRE
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![BU of 3hre by Molmil](/molmil-images/mine/3hre) | X-ray crystallographic structure of CTX-M-9 S70G | Descriptor: | CTX-M-9 extended-spectrum beta-lactamase, PHOSPHATE ION | Authors: | Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R. | Deposit date: | 2009-06-09 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insights into substrate recognition and product expulsion in CTX-M enzymes. J.Mol.Biol., 400, 2010
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3G34
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![BU of 3g34 by Molmil](/molmil-images/mine/3g34) | 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
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3HUO
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![BU of 3huo by Molmil](/molmil-images/mine/3huo) | X-ray crystallographic structure of CTX-M-9 S70G in complex with benzylpenicillin | Descriptor: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase, PENICILLIN G | Authors: | Delmas, J, Leyssene, D, Dubois, D, Robin, F, Bonnet, R. | Deposit date: | 2009-06-15 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Dynamic view of the early and late steps of the catalytic mechanism mediated by the emerging enzymes CTX-M. To be Published
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