1BUE
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![BU of 1bue by Molmil](/molmil-images/mine/1bue) | NMC-A CARBAPENEMASE FROM ENTEROBACTER CLOACAE | Descriptor: | PROTEIN (IMIPENEM-HYDROLYSING BETA-LACTAMASE) | Authors: | Swaren, P, Maveyraud, L, Cabantous, S, Pedelacq, J.D, Mourey, L, Frere, J.M, Samama, J.P. | Deposit date: | 1998-09-03 | Release date: | 1999-09-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | X-ray analysis of the NMC-A beta-lactamase at 1.64-A resolution, a class A carbapenemase with broad substrate specificity. J.Biol.Chem., 273, 1998
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1BZA
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![BU of 1bza by Molmil](/molmil-images/mine/1bza) | BETA-LACTAMASE TOHO-1 FROM ESCHERICHIA COLI TUH12191 | Descriptor: | BETA-LACTAMASE, SULFATE ION | Authors: | Ibuka, A, Taguchi, A, Ishiguro, M, Fushinobu, S, Ishii, Y, Kamitori, S, Okuyama, K, Yamaguchi, K, Konno, M, Matsuzawa, H. | Deposit date: | 1998-10-28 | Release date: | 1999-04-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the E166A mutant of extended-spectrum beta-lactamase Toho-1 at 1.8 A resolution. J.Mol.Biol., 285, 1999
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1BLP
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![BU of 1blp by Molmil](/molmil-images/mine/1blp) | |
1BLC
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![BU of 1blc by Molmil](/molmil-images/mine/1blc) | |
1CK3
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![BU of 1ck3 by Molmil](/molmil-images/mine/1ck3) | N276D MUTANT OF ESCHERICHIA COLI TEM-1 BETA-LACTAMASE | Descriptor: | BETA-LACTAMASE | Authors: | Swaren, P, Maveyraud, L, Samama, J.P. | Deposit date: | 1999-04-27 | Release date: | 1999-08-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | X-ray structure of the Asn276Asp variant of the Escherichia coli TEM-1 beta-lactamase: direct observation of electrostatic modulation in resistance to inactivation by clavulanic acid. Biochemistry, 38, 1999
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7TPU
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![BU of 7tpu by Molmil](/molmil-images/mine/7tpu) | Crystal structure of a chitinase-modifying protein from Fusarium vanettenii (Fvan-cmp) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-lactamase domain-containing protein, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Dowling, N.V, Naumann, T.A, Price, N.P.J, Rose, D.R. | Deposit date: | 2022-01-26 | Release date: | 2023-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Crystal structure of a polyglycine hydrolase determined using a RoseTTAFold model. Acta Crystallogr D Struct Biol, 79, 2023
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7U9B
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![BU of 7u9b by Molmil](/molmil-images/mine/7u9b) | Crystal structure of indoline 7 with KPC-2 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, [(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2022-03-10 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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7UA7
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![BU of 7ua7 by Molmil](/molmil-images/mine/7ua7) | Crystal structure of indoline 9 with KPC-2 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2022-03-11 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.247 Å) | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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7U70
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![BU of 7u70 by Molmil](/molmil-images/mine/7u70) | Crystal Structure of CTX-M-14 with compound 2 | Descriptor: | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Beta-lactamase | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2022-03-07 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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7U8S
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![BU of 7u8s by Molmil](/molmil-images/mine/7u8s) | Crystal Structure of KPC-2 with compound 2 | Descriptor: | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2022-03-09 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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7UON
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![BU of 7uon by Molmil](/molmil-images/mine/7uon) | CTX-M-14 Y105W mutant | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Judge, A, Hu, L, Sankaran, B, Van Riper, J, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2022-04-13 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mapping the determinants of catalysis and substrate specificity of the antibiotic resistance enzyme CTX-M beta-lactamase. Commun Biol, 6, 2023
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7TI2
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![BU of 7ti2 by Molmil](/molmil-images/mine/7ti2) | Structure of KPC-2 bound to RPX-7063 at 1.75A | Descriptor: | 1,2-ETHANEDIOL, Carbapenem-hydrolyzing beta-lactamase KPC, {(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid | Authors: | Clifton, M.C, Fairman, J.W, Edwards, T.E, Hecker, S.J. | Deposit date: | 2022-01-12 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. Bioorg.Med.Chem., 62, 2022
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7UTB
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![BU of 7utb by Molmil](/molmil-images/mine/7utb) | KPC-2 CARBAPENEMASE IN COMPLEX WITH THE BORONIC ACID INHIBITOR MB_076 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, [(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron | Authors: | van den Akker, F, Alsenani, T.A. | Deposit date: | 2022-04-26 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Boronic Acid Transition State Inhibitors as Potent Inactivators of KPC and CTX-M beta-Lactamases: Biochemical and Structural Analyses. Antimicrob.Agents Chemother., 67, 2023
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7VQN
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![BU of 7vqn by Molmil](/molmil-images/mine/7vqn) | Crystal structure of KPC-2 beta-lactamase complexed with hydrolyzed EXW-1 | Descriptor: | (2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION | Authors: | Xie, H.X. | Deposit date: | 2021-10-20 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of KPC-2 beta-lactamase complexed with hydrolyzed EXW-1 To Be Published
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6D15
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![BU of 6d15 by Molmil](/molmil-images/mine/6d15) | Crystal structure of KPC-2 complexed with compound 1 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6CYN
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![BU of 6cyn by Molmil](/molmil-images/mine/6cyn) | CTX-M-14 N106S/D240G mutant | Descriptor: | Beta-lactamase | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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6CYK
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![BU of 6cyk by Molmil](/molmil-images/mine/6cyk) | CTX-M-14 N106S mutant | Descriptor: | ACETATE ION, Beta-lactamase | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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6D19
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![BU of 6d19 by Molmil](/molmil-images/mine/6d19) | Crystal structure of KPC-2 complexed with compound 9 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D3G
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![BU of 6d3g by Molmil](/molmil-images/mine/6d3g) | PER-2 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 2.4 Angstrom resolution | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, TETRAETHYLENE GLYCOL | Authors: | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | Deposit date: | 2018-04-16 | Release date: | 2019-04-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam. Antimicrob.Agents Chemother., 63, 2019
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3NY4
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![BU of 3ny4 by Molmil](/molmil-images/mine/3ny4) | Crystal Structure of BlaC-K73A bound with Cefamandole | Descriptor: | (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Tremblay, L.W, Blanchard, J.S. | Deposit date: | 2010-07-14 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Structures of the Michaelis Complex (1.2 A) and the Covalent Acyl Intermediate (2.0 A) of Cefamandole Bound in the Active Sites of the Mycobacterium tuberculosis beta-Lactamase K73A and E166A Mutants. Biochemistry, 49, 2010
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6D7H
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![BU of 6d7h by Molmil](/molmil-images/mine/6d7h) | CTX-M-14 Apoenzyme | Descriptor: | Beta-lactamase, PHOSPHATE ION, POTASSIUM ION | Authors: | Kemp, M, Nichols, D, Chen, Y. | Deposit date: | 2018-04-24 | Release date: | 2019-07-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase To be Published
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3OPH
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![BU of 3oph by Molmil](/molmil-images/mine/3oph) | ESBL R164S mutant of SHV-1 beta-lactamase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Sampson, J.M, van den Akker, F. | Deposit date: | 2010-09-01 | Release date: | 2011-07-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase. Antimicrob.Agents Chemother., 55, 2011
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3OPP
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![BU of 3opp by Molmil](/molmil-images/mine/3opp) | ESBL R164S mutant of SHV-1 beta-lactamase complexed 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: | Sampson, J.M, van den Akker, F. | Deposit date: | 2010-09-01 | Release date: | 2011-07-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase. Antimicrob.Agents Chemother., 55, 2011
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6DMH
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![BU of 6dmh by Molmil](/molmil-images/mine/6dmh) | A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant | 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, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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3OPL
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![BU of 3opl by Molmil](/molmil-images/mine/3opl) | ESBL R164H mutant SHV-1 beta-lactamase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Sampson, J.M, van den Akker, F. | Deposit date: | 2010-09-01 | Release date: | 2011-07-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase. Antimicrob.Agents Chemother., 55, 2011
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