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8JOI
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BU of 8joi by Molmil
Crystal Structure of Bel-1 E166A Mutant.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, Beta-lactamase, ...
著者Dhankhar, K, Hazra, S.
登録日2023-06-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Bel-1 E166A Mutant
To Be Published
5UJO
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BU of 5ujo by Molmil
X-Ray Crystal Structure of Ruthenocenyl-7-Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with CTX-M-14 E166A Beta-Lactamase
分子名称: Beta-lactamase, POTASSIUM ION, ruthenocenyl-7-aminodesacetoxycephalosporanic acid, ...
著者Lewandowski, E.M, Chen, Y.
登録日2017-01-18
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Antibacterial Properties of Metallocenyl-7-ADCA Derivatives and Structure in Complex with CTX-Mbeta-Lactamase.
Organometallics, 36, 2017
5UL8
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BU of 5ul8 by Molmil
Apo KPC-2 beta-lactamase crystal structure at 1.15 Angstrom resolution
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION
著者Pemberton, O.A, Chen, Y.
登録日2017-01-24
公開日2017-04-26
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2).
J. Med. Chem., 60, 2017
5TWD
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BU of 5twd by Molmil
CTX-M-14 P167S apoenzyme
分子名称: Beta-lactamase
著者Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
登録日2016-11-12
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TW4
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BU of 5tw4 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with ceftaroline
分子名称: CHLORIDE ION, Ceftaroline, bound form, ...
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2016-11-11
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5UJ3
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BU of 5uj3 by Molmil
Crystal structure of the KPC-2 beta-lactamase complexed with hydrolyzed cefotaxime
分子名称: (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Pemberton, O.A, Chen, Y.
登録日2017-01-16
公開日2017-04-26
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2).
J. Med. Chem., 60, 2017
6J2B
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BU of 6j2b by Molmil
CTX-M-64 beta-lactamase S130T sulbactam complex
分子名称: Beta-lactamase, GLYCEROL, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Cheng, Q, Chen, S.
登録日2018-12-31
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献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
6J2O
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BU of 6j2o by Molmil
Crystal structure of CTX-M-64 clavulanic acid complex
分子名称: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2019-01-02
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
6J25
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BU of 6j25 by Molmil
CTX-M-64 beta-lactamase mutant-S130T
分子名称: Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2018-12-30
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
6J8Q
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BU of 6j8q by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献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
6J2K
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BU of 6j2k by Molmil
CTX-M-64 beta-lactamase S130T clavulanic acid complex
分子名称: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2019-01-01
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献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
6JN4
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BU of 6jn4 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
6JN5
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BU of 6jn5 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
分子名称: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献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
6JN3
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BU of 6jn3 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献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
6H27
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BU of 6h27 by Molmil
Structure of S70C BlaC from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, BlaC
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2018-07-13
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
6ITY
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BU of 6ity by Molmil
CTX-M-64 sulbactam complex
分子名称: ACRYLIC ACID, Beta-lactamase, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Cheng, Q, Chen, S.
登録日2018-11-26
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献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
3HLW
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BU of 3hlw by Molmil
CTX-M-9 S70G in complex with cefotaxime
分子名称: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase
著者Delmas, J, Leyssne, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R.
登録日2009-05-28
公開日2010-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
3HUN
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BU of 3hun by Molmil
Crystal structure of Penicillin binding protein 4 from Staphylococcus aureus COL in complex with Ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 4
著者Navratna, V, Gopal, B.
登録日2009-06-15
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the role of Staphylococcus aureus Penicillin Binding Protein 4 in antimicrobial resistance
J.Bacteriol., 2009
3HVF
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BU of 3hvf by Molmil
X-ray crystallographic structure of CTX-M-9 S70G in complex with hydrolyzed benzylpenicillin
分子名称: (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase
著者Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R.
登録日2009-06-16
公開日2010-05-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
8ELA
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BU of 8ela by Molmil
CTX-M-14 beta-lactamase mutant - N132A w MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, CHLORIDE ION, ...
著者Lu, S, Palzkill, T, Hu, L, Prasad, B.V.V.
登録日2022-09-23
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8ELB
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BU of 8elb by Molmil
CTX-M-14 beta-lactamase mutant- N132A
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER
著者Lu, S, Neetu, N, Palzkill, T.
登録日2022-09-23
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
3HRE
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BU of 3hre by Molmil
X-ray crystallographic structure of CTX-M-9 S70G
分子名称: CTX-M-9 extended-spectrum beta-lactamase, PHOSPHATE ION
著者Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R.
登録日2009-06-09
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
8EK9
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BU of 8ek9 by Molmil
Crystal structure of the class A carbapenemase CRH-1 in complex with avibactam at 1.4 Angstrom resolution
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S.
登録日2022-09-20
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases.
Antimicrob.Agents Chemother., 67, 2023
8EHU
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BU of 8ehu by Molmil
Crystal structure of the environmental CRH-1 class A carbapenemase at 1.1 Angstrom resolution
分子名称: Beta-lactamase
著者Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S.
登録日2022-09-14
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases.
Antimicrob.Agents Chemother., 67, 2023
3HUO
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BU of 3huo by Molmil
X-ray crystallographic structure of CTX-M-9 S70G in complex with benzylpenicillin
分子名称: (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
著者Delmas, J, Leyssene, D, Dubois, D, Robin, F, Bonnet, R.
登録日2009-06-15
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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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件を2024-07-10に公開中

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