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4GKH
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BU of 4gkh by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NA-PP1
分子名称: 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-11
公開日2012-09-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.863 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4GKI
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BU of 4gki by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1
分子名称: 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-11
公開日2012-09-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
3TYK
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BU of 3tyk by Molmil
Crystal structure of aminoglycoside phosphotransferase APH(4)-Ia
分子名称: CHLORIDE ION, HYGROMYCIN B VARIANT, Hygromycin-B 4-O-kinase
著者Stogios, P.J, Shabalin, I.G, Shakya, T, Evdokmova, E, Fan, Y, Chruszcz, M, Minor, W, Wright, G.D, Savchenko, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2011-09-26
公開日2011-10-12
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and function of APH(4)-Ia, a hygromycin B resistance enzyme.
J.Biol.Chem., 286, 2011
5FAP
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BU of 5fap by Molmil
CTX-M-15 in complex with FPI-1602
分子名称: Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
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 (2.7 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
5FA7
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BU of 5fa7 by Molmil
CTX-M-15 in complex with FPI-1523
分子名称: Beta-lactamase, [[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
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2019-11-20
実験手法X-RAY DIFFRACTION (1.67 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
5FAQ
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BU of 5faq by Molmil
OXA-48 in complex with FPI-1465
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 (1.96 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
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
5FAO
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BU of 5fao by Molmil
CTX-M-15 in complex with FPI-1465
分子名称: Beta-lactamase, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
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2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.01 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
3DHO
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BU of 3dho by Molmil
Structure of Streptogramin Acetyltransferase in Complex with an Inhibitor
分子名称: 6-bromo-N'-[(1Z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Roderick, S.L, Pesaresi, A, Wright, G.D.
登録日2008-06-18
公開日2009-09-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Streptogramin Acetyltransferase in Complex with an Inhibitor
To be Published
7MK5
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BU of 7mk5 by Molmil
Crystal structure of Escherichia coli ClpP covalently inhibited by clipibicyclene
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid, ACETATE ION, ...
著者Culp, E.J, Sychantha, D, Hobson, C, Pawlowski, A.J, Prehna, G, Wright, G.D.
登録日2021-04-21
公開日2022-02-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献ClpP inhibitors are produced by a widespread family of bacterial gene clusters.
Nat Microbiol, 7, 2022
1Q7G
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BU of 1q7g by Molmil
Homoserine Dehydrogenase in complex with suicide inhibitor complex NAD-5-hydroxy-4-Oxonorvaline
分子名称: Homoserine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINE, SODIUM ION
著者Jacques, S.L, Mirza, I.A, Ejim, L, Koteva, K, Hughes, D.W, Green, K, Kinach, R, Honek, J.F, Lai, H.K, Berghuis, A.M, Wright, G.D.
登録日2003-08-18
公開日2003-10-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Enzyme assisted suicide: Molecular basis for the antifungal activity of 5-hydroxy-4-oxonorvaline by potent inhibition of homoserine dehydrogenase
Chem.Biol., 10, 2003
1TVE
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BU of 1tve by Molmil
Homoserine Dehydrogenase in complex with 4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol
分子名称: 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-2-ISOPROPYLPHENOL, Homoserine dehydrogenase
著者Ejim, L, Mirza, I.A, Capone, C, Nazi, I, Jenkins, S, Chee, G.L, Berghuis, A.M, Wright, G.D.
登録日2004-06-29
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献New phenolic inhibitors of yeast homoserine dehydrogenase
Bioorg.Med.Chem., 12, 2004
2B61
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BU of 2b61 by Molmil
Crystal Structure of Homoserine Transacetylase
分子名称: Homoserine O-acetyltransferase
著者Mirza, I.A, Nazi, I, Korczynska, M, Wright, G.D, Berghuis, A.M.
登録日2005-09-29
公開日2005-11-15
最終更新日2018-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of Homoserine Transacetylase from Haemophilus influenzae Reveals a New Family of alpha/beta-Hydrolases
Biochemistry, 44, 2005
2GMW
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BU of 2gmw by Molmil
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli.
分子名称: D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION
著者Zhang, K, DeLeon, G, Wright, G.D, Junop, M.S.
登録日2006-04-07
公開日2007-04-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Biochemistry, 49, 2010
2HW2
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BU of 2hw2 by Molmil
Crystal structure of Rifampin ADP-ribosyl transferase in complex with Rifampin
分子名称: GLYCINE, RIFAMPICIN, Rifampin ADP-ribosyl transferase
著者Baysarowich, J, Wright, G.D, Junop, M.
登録日2006-07-31
公開日2007-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Rifamycin antibiotic resistance by ADP-ribosylation: Structure and diversity of Arr.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5VQB
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BU of 5vqb by Molmil
Crystal structure of rifampin monooxygenase from Streptomyces venezuelae, complex with FAD
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Cox, G, Kelso, J, Stogios, P.J, Savchenko, A, Anderson, W.F, Wright, G.D, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-05-08
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.391 Å)
主引用文献Rox, a Rifamycin Resistance Enzyme with an Unprecedented Mechanism of Action.
Cell Chem Biol, 25, 2018
8B43
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BU of 8b43 by Molmil
Crystal structure of ferrioxamine transporter
分子名称: 1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone, FE (III) ION, Ferrichrome-iron receptor, ...
著者Josts, I, Tidow, H.
登録日2022-09-19
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Interactions of TonB-dependent transporter FoxA with siderophores and antibiotics that affect binding, uptake, and signal transduction.
Proc.Natl.Acad.Sci.USA, 120, 2023
6BND
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BU of 6bnd by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant mono-zinc and phosphoethanolamine complex
分子名称: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-11-16
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 13, 2018
6BNE
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BU of 6bne by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, phosphate-bound complex
分子名称: ACETATE ION, GLYCEROL, PHOSPHATE ION, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-11-16
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Substrate recognition by a colistin resistance enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 2018
6BNF
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BU of 6bnf by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, mono-zinc complex
分子名称: ACETATE ION, GLYCEROL, PHOSPHATE ION, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-11-16
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Substrate recognition by a colistin resistance enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 2018
6BNC
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BU of 6bnc by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant di-zinc and PEG complex
分子名称: CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-11-16
公開日2018-01-31
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 13, 2018
3L1V
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BU of 3l1v by Molmil
Crystal structure of GmhB from E. coli in complex with calcium and phosphate.
分子名称: CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, PHOSPHATE ION, ...
著者Sugiman-Marangos, S.N, Junop, M.S.
登録日2009-12-14
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Biochemistry, 49, 2010
3L1U
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BU of 3l1u by Molmil
Crystal structure of Calcium-bound GmhB from E. coli.
分子名称: CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION
著者Sugiman-Marangos, S.N, Junop, M.S.
登録日2009-12-14
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Biochemistry, 49, 2010
3MT6
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BU of 3mt6 by Molmil
Structure of ClpP from Escherichia coli in complex with ADEP1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACYLDEPSIPEPTIDE 1, ATP-dependent Clp protease proteolytic subunit
著者Chung, Y.S.
登録日2010-04-30
公開日2010-11-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Acyldepsipeptide antibiotics induce the formation of a structured axial channel in ClpP: A model for the ClpX/ClpA-bound state of ClpP.
Chem.Biol., 17, 2010

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