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7TI1	Structure of AmpC bound to RPX-7063 at 2.0A Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... Authors: Clifton, M.C, Abendroth, J, Edwards, T.E, Hecker, S.J. Deposit date: 2022-01-12 Release date: 2023-01-25 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2 Å) Cite: Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. Bioorg.Med.Chem., 62, 2022
7TI0	Structure of CTX-M-15 bound to RPX-7063 at 1.5A Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... Authors: Clifton, M.C, Abendroth, J, Hecker, S.J, Edwards, T.E. Deposit date: 2022-01-12 Release date: 2022-05-18 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. Bioorg.Med.Chem., 62, 2022
7TC1	Crystal structure of D179N KPC-2 beta-lactamase in complex with vaborbactam Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, PHOSPHATE ION, Vaborbactam Authors: van den Akker, F, Alsenani, T. Deposit date: 2021-12-22 Release date: 2022-03-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
7TBX	Crystal structure of D179Y KPC-2 beta-lactamase Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC Authors: van den Akker, F, Alsenani, T. Deposit date: 2021-12-22 Release date: 2022-03-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.16 Å) Cite: Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
7TB7	Crystal structure of D179N KPC-2 beta-lactamase Descriptor: CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC Authors: van den Akker, F, Alsenani, T. Deposit date: 2021-12-21 Release date: 2022-03-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (0.99 Å) Cite: Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
7SPN	Crystal structure of IS11, a thermophilic esterase Descriptor: IS11 Authors: Stogios, P.J, Evdokimova, E, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. Deposit date: 2021-11-02 Release date: 2022-08-24 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.92 Å) Cite: Crystal structure of IS11, a thermophilic esterase To Be Published
7S5S	CTX-M-15 WT in complex with BLIP WT Descriptor: Beta-lactamase, Beta-lactamase inhibitory protein Authors: Lu, S, Palzkill, T, Hu, L.Y, Prasad, B.V.V, Sankaran, B. Deposit date: 2021-09-11 Release date: 2022-11-30 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.4 Å) Cite: An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M beta-lactamase drug-resistance enzymes. Nat Commun, 13, 2022
7S0V	The role of an Asp-Asp pair in the structure, function and inhibition of CTX-M Class A Beta-lactamase Descriptor: 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase Authors: Kemp, M.T, Chen, Y. Deposit date: 2021-08-31 Release date: 2021-11-10 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Mutation of the conserved Asp-Asp pair impairs the structure, function, and inhibition of CTX-M Class A beta-lactamase. Febs Lett., 595, 2021
7R3R	Crystal structure of CTX-M-15 G238C mutant apoenzyme Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION Authors: Tooke, C.L, Hinchliffe, P, Spencer, J. Deposit date: 2022-02-07 Release date: 2022-05-25 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 13, 2022
7R3Q	Crystal structure of CTX-M-15 G238C/A240 insert mutant apoenzyme Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION Authors: Tooke, C.L, Hinchliffe, P, Spencer, J. Deposit date: 2022-02-07 Release date: 2022-05-25 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 13, 2022
7QOR	Structure of beta-lactamase TEM-171 Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... Authors: Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M. Deposit date: 2021-12-28 Release date: 2022-07-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.999 Å) Cite: Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
7QNK	Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution Descriptor: ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE Authors: Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. Deposit date: 2021-12-21 Release date: 2022-07-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
7QLP	Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... Authors: Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. Deposit date: 2021-12-20 Release date: 2022-07-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
7Q11	Crystal structure of CTX-M-14 in complex with Ixazomib Descriptor: Beta-lactamase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C. Deposit date: 2021-10-17 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.14 Å) Cite: Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors. Sci Rep, 12, 2022
7Q0Z	Crystal structure of CTX-M-14 Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION Authors: Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C. Deposit date: 2021-10-17 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1 Å) Cite: Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors. Sci Rep, 12, 2022
7Q0Y	Crystal structure of CTX-M-14 in complex with Bortezomib Descriptor: ACETATE ION, Beta-lactamase, CHLORIDE ION, ... Authors: Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C. Deposit date: 2021-10-17 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors. Sci Rep, 12, 2022
7PU6	STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF OCTYL 4-NITROPHENYL HEXYLPHOSPHONATE Descriptor: Esterase, GLYCEROL, hexyl(octoxy)phosphinic acid Authors: Cea Rama, I, Sanz-Aparicio, J. Deposit date: 2021-09-28 Release date: 2022-07-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.92 Å) Cite: Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope. Febs J., 289, 2022
7PP8	STRUCTURE OF ESTER-HYDROLASE EH7 FROM METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ... Authors: Cea-Rama, I, Sanz-Aparicio, J. Deposit date: 2021-09-13 Release date: 2022-07-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope. Febs J., 289, 2022
7PP3	STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Esterase, ... Authors: Cea-Rama, I, Sanz-Aparicio, J. Deposit date: 2021-09-13 Release date: 2022-07-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope. Febs J., 289, 2022
7PA5	Complex between the beta-lactamase CMY-2 with an inhibitory nanobody Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ... Authors: Frederic Cawez, F.C, Frederic Kerff, F.K, Moreno Galleni, M.G, Raphael Herman, R.H. Deposit date: 2021-07-29 Release date: 2022-11-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.184 Å) Cite: Development of Nanobodies as Theranostic Agents against CMY-2-Like Class C beta-Lactamases. Antimicrob.Agents Chemother., 67, 2023
7MQN	Crystal structure of class C beta lactamase from Rhodobacter sphaeroides Descriptor: Beta-lactamase, PHOSPHATE ION Authors: Chang, C, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2021-05-05 Release date: 2021-05-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Crystal structure of class C beta lactamase from Rhodobacter sphaeroides To Be Published
7MDF	Full-length S95A ClbP bound to N-acyl-D-asparagine analog Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... Authors: Velilla, J.A, Volpe, M.R, Gaudet, R. Deposit date: 2021-04-04 Release date: 2022-09-28 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
7MDE	Full-length S95A ClbP Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... Authors: Velilla, J.A, Volpe, M.R, Gaudet, R. Deposit date: 2021-04-04 Release date: 2022-09-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
7MDC	Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... Authors: Velilla, J.A, Volpe, M.R, Gaudet, R. Deposit date: 2021-04-03 Release date: 2022-09-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.7 Å) Cite: A small molecule inhibitor prevents gut bacterial genotoxin production. Nat.Chem.Biol., 19, 2023
7LR9	Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem Descriptor: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC Authors: Furey, I, Palzkill, T, Hu, L, Prasad, B.V.V. Deposit date: 2021-02-16 Release date: 2022-08-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Crystal structure of KPC-2 T215P mutant To Be Published

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