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6J25
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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
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
6I30
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BU of 6i30 by Molmil
Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C
分子名称: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Class C beta-lactamase PDC-301
著者Brem, J, Cahill, S.T, McDonough, M.A, Schofield, C.J.
登録日2018-11-02
公開日2019-02-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates.
Biochim Biophys Acta Gen Subj, 1863, 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
6GTH
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BU of 6gth by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H.
登録日2018-06-18
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
6G9T
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BU of 6g9t by Molmil
CRYSTAL STRUCTURE OF CMY-136 class C BETA-LACTAMASE
分子名称: Beta-lactamase, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Zavala, A, Retailleau, P, Naas, T, Iorga, B.
登録日2018-04-11
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant.
Acs Infect Dis., 5, 2019
6FM7
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BU of 6fm7 by Molmil
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Pozzi, C, De Luca, F, Benvenuti, M, Di Pisa, F, Docquier, J.D, Mangani, S.
登録日2018-01-30
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
6FM6
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Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes
分子名称: Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL
著者Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2018-01-30
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
6DZ8
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BU of 6dz8 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (S75C)
分子名称: Penicillin-binding protein 4, ZINC ION
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2018-07-03
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Recognition of Peptidoglycan Fragments by the Transpeptidase PBP4 FromStaphylococcus aureus.
Front Microbiol, 9, 2018
6DPZ
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BU of 6dpz by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DPY
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BU of 6dpy by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DPX
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BU of 6dpx by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DPT
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BU of 6dpt by Molmil
X-ray crystal structure of AmpC beta-lactamase with nanomolar inhibitor
分子名称: 3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DMH
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A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant
分子名称: (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
著者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.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
6DGU
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BU of 6dgu by Molmil
PER-2 class A extended-spectrum beta-lactamase crystal structure at 2.69 Angstrom resolution
分子名称: Beta-lactamase
著者Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S.
登録日2018-05-18
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.691 Å)
主引用文献Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.
Antimicrob.Agents Chemother., 63, 2019
6D7I
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BU of 6d7i by Molmil
CTX-M-14 Apoenzyme D233N Point Mutant
分子名称: Beta-lactamase
著者Kemp, M, Nichols, D, Chen, Y.
登録日2018-04-24
公開日2019-07-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
6D7H
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CTX-M-14 Apoenzyme
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
著者Kemp, M, Nichols, D, Chen, Y.
登録日2018-04-24
公開日2019-07-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
6D3G
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BU of 6d3g by Molmil
PER-2 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 2.4 Angstrom resolution
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, TETRAETHYLENE GLYCOL
著者Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S.
登録日2018-04-16
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.
Antimicrob.Agents Chemother., 63, 2019
6D19
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Crystal structure of KPC-2 complexed with compound 9
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D18
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Crystal structure of KPC-2 complexed with compound 6
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D17
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Crystal structure of KPC-2 complexed with compound 3
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D16
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Crystal structure of KPC-2 complexed with compound 2
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D15
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Crystal structure of KPC-2 complexed with compound 1
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6CYU
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Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex 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, Beta-lactamase
著者Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T.
登録日2018-04-06
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
6CYQ
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Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex 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, Beta-lactamase, GLYCEROL
著者Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T.
登録日2018-04-06
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献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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件を2024-06-12に公開中

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