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7LUU
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Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active Site Glutamic Acid
分子名称: GLYCEROL, SULFATE ION, Subclass B3 metallo-beta-lactamase, ...
著者Wilson, L, Knaven, E, Morris, M.T, Schenk, G.
登録日2021-02-23
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active-Site Glutamic Acid.
Antimicrob.Agents Chemother., 65, 2021
7O0O
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Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem
分子名称: (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-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2021-03-26
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-beta-Lactamase in the Imine Form.
J.Chem.Inf.Model., 61, 2021
7EV5
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Crystal structure of BLEG-1 B3 metallo-beta-lactamase
分子名称: IODIDE ION, Lactamase_B domain-containing protein, ZINC ION
著者Au, S.X, Muhd Noor, N.D, Matsumura, H, Rahman, R.N.Z.R.A, Normi, Y.M.
登録日2021-05-20
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Dual Activity BLEG-1 from Bacillus lehensis G1 Revealed Structural Resemblance to B3 Metallo-beta-Lactamase and Glyoxalase II: An Insight into Its Enzyme Promiscuity and Evolutionary Divergence.
Int J Mol Sci, 22, 2021
7OVH
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931)
分子名称: ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-06-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
7OVE
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 10 (JMV-7210)
分子名称: ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Mangani, S, Docquier, J.D, Pozzi, C, Marcoccia, F.
登録日2021-06-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
7OVF
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 8 (JMV-7207)
分子名称: 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-06-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
7PCR
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Helicobacter pylori RNase J
分子名称: Ribonuclease J
著者Luisi, B.F, Pei, X.Y.
登録日2021-08-03
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Acetylation regulates the oligomerization state and activity of RNase J, the Helicobacter pylori major ribonuclease.
Nat Commun, 14, 2023
7PP0
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038)
分子名称: 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-09-10
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors.
Chemmedchem, 17, 2022
7VQJ
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Crystal structure of NDM-1 in complex with hydrolyzed 1u.
分子名称: (2R)-2-[(1S)-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase NDM-1, ZINC ION
著者Xie, H.X.
登録日2021-10-20
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of NDM-1 in complex with hydrolyzed 1u.
To Be Published
7T28
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Structure of phage Bsp38 anti-Pycsar nuclease Apyc1 in apo state
分子名称: Putative metal-dependent hydrolase, ZINC ION
著者Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
登録日2021-12-03
公開日2022-04-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
7TL5
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Crystal structure of putative hydrolase yjcS from Klebsiella pneumoniae.
分子名称: 1,2-ETHANEDIOL, Lactamase_B domain-containing protein
著者Chang, C, Endres, M, Wu, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-01-18
公開日2022-02-02
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
7R3F
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Monomeric PqsE mutant E187R
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ...
著者Borgert, S.R, Schmelz, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3J
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Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION, ...
著者Borgert, S.R, Schmelz, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3E
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Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL
分子名称: 2-aminobenzoylacetyl-CoA thioesterase,Regulatory protein RhlR, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION
著者Borgert, S.R, Schmelz, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7TZA
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Structure of PQS Response Protein PqsE in complex with N-(4-(3-neopentylureido)phenyl)-1H-indazole-7-carboxamide
分子名称: 1,2-ETHANEDIOL, FE (III) ION, N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide, ...
著者Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
登録日2022-02-15
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa.
Biochemistry, 61, 2022
7TZ9
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Structure of PQS Response Protein PqsE(E182W) Variant
分子名称: FE (III) ION, Quinolone signal response protein
著者Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
登録日2022-02-15
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa.
Biochemistry, 61, 2022
7WZU
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Crystal structure of metallo-beta-lactamase IMP-6.
分子名称: Beta-lactamase, ZINC ION
著者Yamaguchi, Y, Kurosaki, H.
登録日2022-02-19
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Difference in the Inhibitory Effect of Thiol Compounds and Demetallation Rates from the Zn(II) Active Site of Metallo-beta-lactamases (IMP-1 and IMP-6) Associated with a Single Amino Acid Substitution.
Acs Infect Dis., 9, 2023
7U2R
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BU of 7u2r by Molmil
Structure of Paenibacillus sp. J14 Apyc1
分子名称: Apyc1, ZINC ION
著者Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
登録日2022-02-24
公開日2022-04-20
最終更新日2022-06-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
7U2S
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Structure of Paenibacillus xerothermodurans Apyc1 in the apo state
分子名称: Apyc1, ZINC ION
著者Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
登録日2022-02-24
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
7U6G
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Structure of PQS Response Protein PqsE(E182W,E280A) Variant
分子名称: FE (III) ION, Quinolone signal response protein
著者Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
登録日2022-03-04
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa.
Biochemistry, 61, 2022
7UHJ
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Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Non-Hydrolyzed Moxalactam (60 ms Snapshot)
分子名称: (1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION
著者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)
登録日2022-03-27
公開日2022-04-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
7UHN
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Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam (300 ms Snapshot)
分子名称: (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
著者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)
登録日2022-03-27
公開日2022-04-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
7UHS
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SSX Structure of Metallo Beta-Lactamase L1 with Two Water Molecules in the Active Site
分子名称: Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase)
著者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)
登録日2022-03-27
公開日2022-04-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
7UHH
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Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Non-Hydrolyzed Moxalactam (20 ms snapshot)
分子名称: (1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION
著者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)
登録日2022-03-27
公開日2022-04-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
7UHP
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Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam (2000 ms Snapshot)
分子名称: (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
著者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)
登録日2022-03-27
公開日2022-04-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022

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