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1GHW
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BU of 1ghw by Molmil
A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site
J.Mol.Biol., 307, 2001
1GI8
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BU of 1gi8 by Molmil
A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
4ZEJ
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BU of 4zej by Molmil
Crystal Structure of DIM-1 Metallo-beta-Lactamase exposed to Ceftazidime
分子名称: CHLORIDE ION, Metallo-beta-lactamase, ZINC ION
著者Booth, M.P.S, Kosmopoulou, M, Spencer, J.
登録日2015-04-20
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Stricture of DIM-1 Metallo-beta-Lactamase
To Be Published
5ACR
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BU of 5acr by Molmil
W228Y-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: CALCIUM ION, GIM-1 PROTEIN, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
5ACP
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BU of 5acp by Molmil
W228R-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
5ACT
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BU of 5act by Molmil
W228S-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: GIM-1 PROTEIN, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
5ACQ
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BU of 5acq by Molmil
W228A-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: BETA-LACTAMASE, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
5ACS
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BU of 5acs by Molmil
Y233A-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: GIM-1 PROTEIN, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.459 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
3Q6V
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BU of 3q6v by Molmil
Crystal Structure of Serratia fonticola Sfh-I: glycerol complex
分子名称: Beta-lactamase, GLYCEROL, ZINC ION
著者Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
登録日2011-01-03
公開日2011-07-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of Serratia fonticola Sfh-I: activation of the nucleophile in mono-zinc metallo-beta-lactamases.
J.Mol.Biol., 411, 2011
5IQK
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BU of 5iqk by Molmil
Rm3 metallo-beta-lactamase
分子名称: ZINC ION, beta-lactamase Rm3
著者Salimraj, R, Spencer, J.
登録日2016-03-10
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study.
Antimicrob.Agents Chemother., 60, 2016
5N5H
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BU of 5n5h by Molmil
Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION
著者Salimraj, R, Hinchliffe, P, Spencer, J.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
5N5I
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BU of 5n5i by Molmil
Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem
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-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Salimraj, R, Hinchliffe, P, Spencer, J.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
5N5G
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BU of 5n5g by Molmil
Crystal structure of di-zinc metallo-beta-lactamase VIM-1
分子名称: BICINE, Beta-lactamase VIM-1, ZINC ION
著者Salimraj, R, Hinchliffe, P, Spencer, J.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.292 Å)
主引用文献Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
5LRM
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BU of 5lrm by Molmil
Structure of di-zinc MCR-1 in P41212 space group
分子名称: GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1
著者Hinchliffe, P, Spencer, J.
登録日2016-08-19
公開日2016-12-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
6RMF
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BU of 6rmf by Molmil
Crystal structure of NDM-1 with VNRX-5133
分子名称: (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ...
著者Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J.
登録日2019-05-06
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
3PSS
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BU of 3pss by Molmil
Crystal Structure of AhQnr, the Qnr protein from Aeromonas hydrophila (P21 crystal form)
分子名称: Qnr
著者Xiong, X, Spencer, J.
登録日2010-12-02
公開日2011-01-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into quinolone antibiotic resistance mediated by pentapeptide repeat proteins: conserved surface loops direct the activity of a Qnr protein from a Gram-negative bacterium
Nucleic Acids Res., 2011
4AX1
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BU of 4ax1 by Molmil
Q157N mutant. Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: ACETATE ION, CALCIUM ION, MAGNESIUM ION, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
4AWY
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BU of 4awy by Molmil
Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
4AX0
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BU of 4ax0 by Molmil
Q157A mutant. Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: ACETATE ION, CALCIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
3SD9
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BU of 3sd9 by Molmil
Crystal structure of serratia fonticola SFH-I: Source of the nucleophile in the catalytic mechanism of mono-zinc metallo-beta-lactamases
分子名称: Beta-lactamase, ZINC ION
著者Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
登録日2011-06-08
公開日2011-07-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure of Serratia fonticola Sfh-I: Activation of the Nucleophile in Mono-Zinc Metallo-beta-Lactamases
To be Published, 2011
4AWZ
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BU of 4awz by Molmil
Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2012-08-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157.
Antimicrob.Agents Chemother., 56, 2012
3PSZ
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BU of 3psz by Molmil
Crystal Structure of AhQnr, the Qnr protein from Aeromonas hydrophila (P21212 crystal form)
分子名称: ACETATE ION, PHOSPHATE ION, Qnr
著者Xiong, X, Spencer, J.
登録日2010-12-02
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into quinolone antibiotic resistance mediated by pentapeptide repeat proteins: conserved surface loops direct the activity of a Qnr protein from a Gram-negative bacterium
Nucleic Acids Res., 2011
4EV4
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BU of 4ev4 by Molmil
Crystal structure of serratia fonticola carbapenemase SFC-1 E166A mutant with the acylenzyme intermediate of meropenem
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, Carbapenem-hydrolizing beta-lactamase SFC-1
著者Fonseca, F, Spencer, J.
登録日2012-04-25
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012
4EQI
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BU of 4eqi by Molmil
Crystal structure of serratia fonticola carbapenemase SFC-1
分子名称: 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, SODIUM ION
著者Fonseca, F, Spencer, J.
登録日2012-04-18
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012
4EUZ
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BU of 4euz by Molmil
Crystal structure of serratia fonticola carbapenemase SFC-1 S70A-Meropenem complex
分子名称: (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, ...
著者Fonseca, F, Spencer, J.
登録日2012-04-25
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012

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