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4S2N
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OXA-48 in complex with Avibactam at pH 8.5
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者King, D.T, Strynadka, N.C.J.
登録日2015-01-21
公開日2015-02-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2M
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Crystal Structure of OXA-163 complexed with iodide in the active site
分子名称: Beta-lactamase, IODIDE ION
著者Stojanoski, V, Hu, L, Palzkill, T.G, Prasad, B.
登録日2015-01-21
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
4S2L
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Crystal Structure of OXA-163 beta-lactamase
分子名称: Beta-lactamase, SODIUM ION
著者Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B.
登録日2015-01-21
公開日2015-07-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
4S2K
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OXA-48 in complex with Avibactam at pH 7.5
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者King, D.T, Strynadka, N.C.J.
登録日2015-01-20
公開日2015-02-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2J
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OXA-48 in complex with Avibactam at pH 6.5
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者King, D.T, Strynadka, N.C.J.
登録日2015-01-20
公開日2015-02-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4RA7
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin
分子名称: (2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan glycosyltransferase
著者Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-09-09
公開日2014-09-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin
To be Published
4R3J
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cefapirin
分子名称: (2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, PHOSPHATE ION, ...
著者Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-15
公開日2014-09-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cefapirin
To be Published
4R23
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin
分子名称: (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ...
著者Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-08
公開日2014-09-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin
To be Published
4R1G
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cloxacillin
分子名称: CLOXACILLIN (OPEN FORM), Peptidoglycan glycosyltransferase
著者Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-05
公開日2014-08-27
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cloxacillin
To be Published
4R0Q
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cephalothin
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CEPHALOTHIN GROUP, Peptidoglycan glycosyltransferase, ...
著者Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-01
公開日2014-08-27
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cephalothin
To be Published
4QJG
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum 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, Peptidoglycan glycosyltransferase
著者Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-06-03
公開日2014-07-09
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin V
To be Published
4OVD
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Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
分子名称: CALCIUM ION, Peptidoglycan glycosyltransferase
著者Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Babnigg, G, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-02-21
公開日2014-03-12
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
To be Published
4OON
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BU of 4oon by Molmil
Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)
分子名称: (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
4OH0
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Crystal structure of OXA-58 carbapenemase
分子名称: Beta-lactamase OXA-58, CHLORIDE ION
著者Smith, C.A, Antunes, N.T, Toth, M, Vakulenko, S.B.
登録日2014-01-16
公開日2014-02-26
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Carbapenemase OXA-58 from Acinetobacter baumannii.
Antimicrob.Agents Chemother., 58, 2014
4N1X
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BU of 4n1x by Molmil
Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G
分子名称: OPEN FORM - PENICILLIN G, Peptidoglycan glycosyltransferase
著者Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Babnigg, G, 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2013-10-04
公開日2013-10-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G
To be Published
4MNR
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Crystal Structure of D,D-Transpeptidase Domain of Peptidoglycan Glycosyltransferase from Eggerthella lenta
分子名称: ACETIC ACID, MAGNESIUM ION, Peptidoglycan glycosyltransferase
著者Kim, Y, Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-09-11
公開日2013-09-25
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Crystal Structure of D,D-Transpeptidase Domain of Peptidoglycan Glycosyltransferase from Eggerthella lenta
To be Published
4MLL
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The 1.4 A structure of the class D beta-lactamase OXA-1 K70D complexed with oxacillin
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1, ...
著者June, C.M, Vallier, B.C, Bonomo, R.A, Leonard, D.A, Powers, R.A.
登録日2013-09-06
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural Origins of Oxacillinase Specificity in Class D beta-Lactamases.
Antimicrob.Agents Chemother., 58, 2014
4L0L
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Crystal structure of P.aeruginosa PBP3 in complex with compound 4
分子名称: (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid, Penicillin-binding protein 3
著者Han, S, Marr, E.S.
登録日2013-05-31
公開日2013-08-21
最終更新日2014-01-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyridone-conjugated monobactam antibiotics with gram-negative activity.
J.Med.Chem., 56, 2013
4KQR
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CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid
分子名称: (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J.
登録日2013-05-15
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
4KQQ
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CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid
分子名称: (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J.
登録日2013-05-15
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
4KQO
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BU of 4kqo by Molmil
Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin
分子名称: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ...
著者Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J.
登録日2013-05-15
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
4K0X
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X-ray Crystal Structure of OXA-23 from Acinetobacter baumannii
分子名称: BICARBONATE ION, Beta-lactamase
著者Klinger, N.V, Ramey, M.E, Leonard, D.A, Powers, R.A.
登録日2013-04-04
公開日2013-08-07
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam.
Antimicrob.Agents Chemother., 57, 2013
4K0W
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X-ray crystal structure of OXA-23 A220 duplication clinical variant
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, Beta-lactamase, ...
著者Kaitany, K.J, Klinger, N.V, Leonard, D.A, Powers, R.A.
登録日2013-04-04
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam.
Antimicrob.Agents Chemother., 57, 2013
4JF6
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Structure of OXA-23 at pH 7.0
分子名称: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2013-02-27
公開日2013-09-25
最終更新日2013-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
4JF5
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Structure of OXA-23 at pH 4.1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION
著者Smith, C.A, Vakulenko, S.B.
登録日2013-02-27
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013

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