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5EUA
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BU of 5eua by Molmil
Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Moxalactam
分子名称: (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid, Beta-lactamase, SODIUM ION
著者Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2015-11-18
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
6MD8
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BU of 6md8 by Molmil
Crystal structure of CTX-M-14 with compound 3
分子名称: 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE
著者Akhtar, A, Chen, Y.
登録日2018-09-04
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6M7I
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BU of 6m7i by Molmil
Crystal structure of KPC-2 with compound 3
分子名称: 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Akhtar, A, Chen, Y.
登録日2018-08-20
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
8DE0
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BU of 8de0 by Molmil
TEM-1 beta-lactamase covalently bound to avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
著者Ji, Z, Boxer, S.G, Mathews, I.I.
登録日2022-06-19
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE2
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BU of 8de2 by Molmil
TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam, a room temperature structure
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
著者Ji, Z, Boxer, S.G, Mathews, I.I.
登録日2022-06-19
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DDZ
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BU of 8ddz by Molmil
TEM-1 beta-lactamase A237Y
分子名称: Beta-lactamase TEM
著者Ji, Z, Boxer, S.G, Mathews, I.I.
登録日2022-06-19
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE1
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BU of 8de1 by Molmil
TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
著者Ji, Z, Boxer, S.G, Mathews, I.I.
登録日2022-06-19
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
6MIA
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BU of 6mia by Molmil
Crystal structure of CTX-M-14 with compound 6
分子名称: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase
著者Akhtar, A, Chen, Y.
登録日2018-09-19
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MKQ
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BU of 6mkq by Molmil
Carbapenemase VCC-1 bound to avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Mark, B.L, Vadlamani, G.
登録日2018-09-26
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam.
Antimicrob. Agents Chemother., 63, 2019
6N14
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BU of 6n14 by Molmil
Phosphoserine BlaC, Class A serine beta-lactamase from Mycobacterium tuberculosis
分子名称: Beta-lactamase, PHOSPHATE ION
著者Moural, T.W, White, D.S, Choy, C.J, Kang, C, Berkman, C.E.
登録日2018-11-08
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.52169466 Å)
主引用文献Crystal Structure of Phosphoserine BlaC fromMycobacterium tuberculosisInactivated by Bis(Benzoyl) Phosphate.
Int J Mol Sci, 20, 2019
6MZ2
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BU of 6mz2 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 7.9
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-11-03
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (0.83 Å)
主引用文献Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam.
Proc.Natl.Acad.Sci.USA, 117, 2020
6MLL
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BU of 6mll by Molmil
Crystal structure of KPC-2 with compound 7
分子名称: 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Akhtar, A, Chen, Y.
登録日2018-09-27
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MK6
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BU of 6mk6 by Molmil
Carbapenemase VCC-1 from Vibrio cholerae N14-02106
分子名称: Beta-lactamase
著者Mark, B.L, Vadlamani, G.
登録日2018-09-25
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam.
Antimicrob. Agents Chemother., 63, 2019
6MNP
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BU of 6mnp by Molmil
Crystal structure of KPC-2 with compound 6
分子名称: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Akhtar, A, Chen, Y.
登録日2018-10-02
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MZ1
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BU of 6mz1 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-11-03
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam.
Proc.Natl.Acad.Sci.USA, 117, 2020
8EBR
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BU of 8ebr by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 30ms
分子名称: Beta-lactamase, PHOSPHATE ION, SULBACTAM, ...
著者Malla, T.N, Schmidt, M.
登録日2022-08-31
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EC4
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BU of 8ec4 by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 240ms
分子名称: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Malla, T.N, Schmidt, M.
登録日2022-09-01
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EBI
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BU of 8ebi by Molmil
XFEL structure of beta lactamase microcrystals mixed with sulbactam solution for 15ms
分子名称: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Malla, T.N, Schmidt, M.
登録日2022-08-31
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8ECF
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BU of 8ecf by Molmil
Cryo structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 hours
分子名称: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Malla, T.N, Schmidt, M.
登録日2022-09-01
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.736 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
6NFD
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BU of 6nfd by Molmil
beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, beta-lactamase SHV-11
著者Osipiuk, J, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-19
公開日2018-12-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044
to be published
8DON
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BU of 8don by Molmil
Beta-lactamase CTX-M-14 T215A
分子名称: Beta-lactamase, PHOSPHATE ION
著者Lu, S, Palzkill, T.
登録日2022-07-13
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 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
8DOE
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BU of 8doe by Molmil
Crystal Structure of CTX-M-14 N106A
分子名称: Beta-lactamase
著者Lu, S, Palzkill, T.
登録日2022-07-12
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
8DP4
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BU of 8dp4 by Molmil
Beta-lactamase CTX-M-14 T235A
分子名称: Beta-lactamase
著者Lu, S, Palzkill, T.
登録日2022-07-14
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.402 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
8DOD
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BU of 8dod by Molmil
Beta-lactamase CTX-M-14 S130A
分子名称: Beta-lactamase, POTASSIUM ION
著者Lu, S, Palzkill, T.
登録日2022-07-12
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.61 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
8DPQ
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BU of 8dpq by Molmil
Beta-lactamase CTX-M-14 N170A
分子名称: 1,2-ETHANEDIOL, Beta-lactamase
著者Lu, S, Neetu, N, Palzkill, T.
登録日2022-07-15
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.67 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

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