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PDB: 32 件

2P74
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CTX-M-9 class A beta-lactamase apo crystal structure at 0.88 Angstrom resolution
分子名称: Beta-lactamase CTX-M-9a, PHOSPHATE ION, POTASSIUM ION
著者Chen, Y, Bonnet, R, Shoichet, B.K.
登録日2007-03-19
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献The Acylation Mechanism of CTX-M beta-Lactamase at 0.88 A Resolution.
J.Am.Chem.Soc., 129, 2007
1YLJ
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BU of 1ylj by Molmil
Atomic resolution structure of CTX-M-9 beta-lactamase
分子名称: SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-9a
著者Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R.
登録日2005-01-19
公開日2005-04-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability.
J.Mol.Biol., 348, 2005
1YM1
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BU of 1ym1 by Molmil
X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with a boronic acid inhibitor (SM2)
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase CTX-M-9a
著者Chen, Y, Shoichet, B, Bonnet, R.
登録日2005-01-20
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
4DE0
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CTX-M-9 class A beta-lactamase complexed with compound 16
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
著者Nichols, D.N, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE1
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CTX-M-9 class A beta-lactamase complexed with compound 18
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
3G34
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CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE)
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 CTX-M-9a, DIMETHYL SULFOXIDE, ...
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G32
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CTX-M-9 class A beta-lactamase complexed with compound 6 (3G3)
分子名称: 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G2Y
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CTX-M-9 class A beta-lactamase complexed with compound 1 (GF4)
分子名称: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
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
4DDS
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BU of 4dds by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11
分子名称: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DDY
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CTX-M-9 class A beta-lactamase complexed with compound 10
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE2
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BU of 4de2 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 12
分子名称: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
3G35
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CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)
分子名称: 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
4DE3
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BU of 4de3 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 4
分子名称: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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
3G2Z
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BU of 3g2z by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 2 (GZ2)
分子名称: 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
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
4LEN
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BU of 4len by Molmil
CTX-M-9 in complex with the broad spectrum inhibitor 3-(2- carboxyvinyl)benzo(b)thiophene-2-boronic acid
分子名称: (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid, Beta-lactamase
著者Tondi, D.
登録日2013-06-26
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Targeting Class A and C Serine beta-Lactamases with a Broad-Spectrum Boronic Acid Derivative.
J.Med.Chem., 57, 2014
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
3Q1F
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BU of 3q1f by Molmil
CTX-M-9 S70G in complex with hydrolyzed piperacillin
分子名称: Beta-lactamase, Hydrolyzed piperacillin
著者Leyssne, D, Delmas, J, Coignoux, A, Robin, F, Bonnet, R.
登録日2010-12-17
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献CTX-M-9 S70G mutant in complex with hydrolyzed piperacillin
To be Published
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
3Q07
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BU of 3q07 by Molmil
CTX-M-9 S70G in complex with piperacillin
分子名称: Beta-lactamase, Hydrolyzed piperacillin, Piperacillin
著者Delmas, J, Leyssne, D, Robin, F, Coignoux, A, Bonnet, R.
登録日2010-12-15
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献CTX-M-9 S70G mutant in complex with piperacillin
To be Published
1YMS
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BU of 1yms by Molmil
X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with nafcinin-like boronic acid inhibitor
分子名称: [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID, beta-lactamase CTX-M-9
著者Chen, Y, Shoichet, B, Bonnet, R.
登録日2005-01-21
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
6CYN
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BU of 6cyn by Molmil
CTX-M-14 N106S/D240G mutant
分子名称: 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 (1.6 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2024-07-03に公開中

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