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5FAT
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BU of 5fat by Molmil
OXA-48 in complex with FPI-1602
分子名称: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
著者King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
登録日2015-12-12
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FAS
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BU of 5fas by Molmil
OXA-48 in complex with FPI-1523
分子名称: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
著者King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
登録日2015-12-11
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
4YIN
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BU of 4yin by Molmil
Crystal structure of the extended-spectrum beta-lactamase OXA-145
分子名称: Beta-lactamase, CITRATE ANION
著者Meziane-Cherif, D, Bonnet, R, Haouz, A, Courvalin, P.
登録日2015-03-02
公開日2016-02-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the loss of penicillinase and the gain of ceftazidimase activities by OXA-145 beta-lactamase in Pseudomonas aeruginosa.
J. Antimicrob. Chemother., 71, 2016
4Z9Q
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BU of 4z9q by Molmil
Crystal structure of OXA-58 with disordered active site
分子名称: Beta-lactamase OXA-58
著者Pratap, S, Gill, P.K, Golemi-Kotra, D, Kumar, P.
登録日2015-04-11
公開日2016-04-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of OXA-58 with disordered active site
To Be Published
5CXW
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BU of 5cxw by Molmil
Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V
分子名称: (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2015-07-29
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
5CRF
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BU of 5crf by Molmil
Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis
分子名称: PHOSPHATE ION, Penicillin-binding protein 1A
著者Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2015-07-22
公開日2016-05-04
最終更新日2016-07-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
5DTK
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BU of 5dtk by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 17
分子名称: 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.60000241 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5DTT
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BU of 5dtt by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 3
分子名称: 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-yl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.10000539 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5DTS
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BU of 5dts by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 2
分子名称: 3-(pyridin-3-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94015872 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5DVA
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BU of 5dva by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 1
分子名称: 3-(pyridin-4-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-21
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.50003886 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5FQ9
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BU of 5fq9 by Molmil
Crystal structure of the OXA10 with 1C
分子名称: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ...
著者Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J.
登録日2015-12-08
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
5KZH
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BU of 5kzh by Molmil
High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51
分子名称: ACETATE ION, Beta-lactamase, FORMIC ACID
著者June, C.M, Powers, R.A, Leonard, D.A.
登録日2016-07-25
公開日2016-08-17
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity.
Protein Sci., 25, 2016
5HAQ
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BU of 5haq by Molmil
OXa-48 beta-lactamase mutant - S70G
分子名称: Beta-lactamase, CADMIUM ION, FORMIC ACID
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5HAP
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BU of 5hap by Molmil
OXA-48 beta-lactamase - S70A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5HAR
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BU of 5har by Molmil
OXA-163 beta-lactamase - S70G mutant
分子名称: ACETATE ION, Beta-lactamase, CHLORIDE ION
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5L2F
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BU of 5l2f by Molmil
High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51 I129L/K83D bound to doripenem
分子名称: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ACETATE ION, Beta-lactamase, ...
著者June, C.M, Powers, R.A, Leonard, D.A, Muckenthaler, T.
登録日2016-08-01
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity.
Protein Sci., 25, 2016
5G18
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BU of 5g18 by Molmil
Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BETA-LACTAMASE CTX-M-97, SULFATE ION
著者Vandavasi, V.G, Weiss, K.L, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
登録日2016-03-23
公開日2016-11-09
最終更新日2019-10-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
5TRO
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BU of 5tro by Molmil
1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase domains (residues 39-608) of Penicillin-Binding Protein 1 from Staphylococcus aureus.
分子名称: CHLORIDE ION, Penicillin-binding protein 1
著者Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-10-26
公開日2016-11-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase domains (residues 39-608) of Penicillin-Binding Protein 1 from Staphylococcus aureus.
To Be Published
5KSC
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BU of 5ksc by Molmil
E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1
著者Vandavasi, V.G, Langan, P.S, Weiss, K, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
登録日2016-07-08
公開日2016-11-09
最終更新日2019-12-04
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
5HLD
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BU of 5hld by Molmil
E. coli PBP1b in complex with acyl-CENTA and moenomycin
分子名称: (2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B
著者King, D.T, Strynadka, N.C.J.
登録日2016-01-14
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition.
J. Biol. Chem., 2016
5HLB
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E. coli PBP1b in complex with acyl-aztreonam and moenomycin
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, MOENOMYCIN, Penicillin-binding protein 1B
著者King, D.T, Strynadka, N.C.J.
登録日2016-01-14
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition.
J. Biol. Chem., 2016
5HL9
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BU of 5hl9 by Molmil
E. coli PBP1b in complex with acyl-ampicillin and moenomycin
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B
著者King, D.T, Strynadka, N.C.J.
登録日2016-01-14
公開日2016-12-14
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights into Inhibition of Escherichia coli Penicillin-binding Protein 1B.
J.Biol.Chem., 292, 2017
5HLA
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BU of 5hla by Molmil
E. coli PBP1b in complex with acyl-cephalexin and moenomycin
分子名称: (2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B
著者King, D.T, Strynadka, N.C.J.
登録日2016-01-14
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition.
J. Biol. Chem., 2016
5FDH
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BU of 5fdh by Molmil
CRYSTAL STRUCTURE OF OXA-405 BETA-LACTAMASE
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Retailleau, P, Oueslati, S, Marchini, L, Dortet, L, Naas, T, Iorga, B.
登録日2015-12-16
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum beta-Lactamase Activity.
Microorganisms, 8, 2019
5U47
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BU of 5u47 by Molmil
1.95 Angstrom Resolution Crystal Structure of Penicillin Binding Protein 2X from Streptococcus thermophilus
分子名称: ACETATE ION, CHLORIDE ION, Penicillin binding protein 2X
著者Minasov, G, Shuvalova, L, Cardona-Correa, A, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-12-03
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献1.95 Angstrom Resolution Crystal Structure of Penicillin Binding Protein 2X from Streptococcus thermophilus.
To Be Published

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件を2024-06-12に公開中

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