4BZ3
 
 | | Crystal structure of the metallo-beta-lactamase VIM-2 | | Descriptor: | BETA-LACTAMASE VIM-2, FORMIC ACID, SODIUM ION, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.294 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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5A5Z
 | | Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria | | Descriptor: | BETA-LACTAMASE NDM-1, TIOPRONIN, ZINC ION | | Authors: | Klingler, F.M, Wichelhaus, T.A, Frank, D, Cuesta-Bernal, J, El-Delik, J, Mueller, H.F, Sjuts, H, Goettig, S, Koenigs, A, Pogoryelov, D, Proschak, E. | | Deposit date: | 2015-06-23 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.
J. Med. Chem., 58, 2015
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5ACR
 | | W228Y-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | CALCIUM ION, GIM-1 PROTEIN, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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4CHL
 | | Human Ethylmalonic Encephalopathy Protein 1 (hETHE1) | | Descriptor: | FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL | | Authors: | Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2013-12-03 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy.
Hum. Mol. Genet., 24, 2015
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4C1H
 | | Crystal structure of the metallo-beta-lactamase BCII with L-captopril | | Descriptor: | BETA-LACTAMASE 2, GLYCEROL, L-CAPTOPRIL, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4C09
 | | Crystal structure of the metallo-beta-lactamase BCII | | Descriptor: | BETA-LACTAMASE 2, GLYCEROL, SULFATE ION, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-07-31 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4BP0
 | | Crystal structure of the closed form of Pseudomonas aeruginosa SPM-1 | | Descriptor: | CHLORIDE ION, GLYCEROL, METALLO-B-LACTAMASE, ... | | Authors: | McDonough, M.A, Brem, J, Schofield, C.J. | | Deposit date: | 2013-05-22 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Studying the active-site loop movement of the Sao Paolo metallo-beta-lactamase-1
Chem Sci, 6, 2015
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4D1W
 | | A H224Y mutant for VIM-7 from Pseudomonas aeruginosa | | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | | Deposit date: | 2014-05-05 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
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5AXO
 | | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Metallo-beta-lactamase, ... | | Authors: | Wachino, J, Arakawa, Y. | | Deposit date: | 2015-07-31 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem
To Be Published
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4D1U
 | | A D120A mutant of VIM-7 from Pseudomonas aeruginosa | | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | | Deposit date: | 2014-05-05 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
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4D1T
 | | High resolution structure of native tVIM-7 from Pseudomonas aeruginosa | | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | | Deposit date: | 2014-05-05 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
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4D1V
 | | A F218Y mutant of VIM-7 from Pseudomonas aeruginosa | | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | | Deposit date: | 2014-05-05 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
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4C1D
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with L-captopril | | Descriptor: | BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, L-CAPTOPRIL, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.198 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4C1G
 | | Crystal structure of the metallo-beta-lactamase IMP-1 with D-captopril | | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE IMP-1, SULFATE ION, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.714 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4C1C
 | | Crystal structure of the metallo-beta-lactamase BCII with D-captopril | | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE 2, GLYCEROL, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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7T28
 | | Structure of phage Bsp38 anti-Pycsar nuclease Apyc1 in apo state | | Descriptor: | Putative metal-dependent hydrolase, ZINC ION | | Authors: | Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2021-12-03 | | Release date: | 2022-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
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7U2R
 | | Structure of Paenibacillus sp. J14 Apyc1 | | Descriptor: | Apyc1, ZINC ION | | Authors: | Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2022-02-24 | | Release date: | 2022-04-20 | | Last modified: | 2022-06-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
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7U2S
 | | Structure of Paenibacillus xerothermodurans Apyc1 in the apo state | | Descriptor: | Apyc1, ZINC ION | | Authors: | Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2022-02-24 | | Release date: | 2022-04-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
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7TZ9
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7UHM
 | | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam (150 ms Snapshot) | | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-03-27 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
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7UHO
 | | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam (500 ms Snapshot) | | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-03-27 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
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7UP2
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UP1
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UP3
 | | NDM1-inhibitor co-structure | | Descriptor: | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UOX
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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