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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
Descriptor: 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
Authors: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)
Deposit date:2012-08-11
Release date:2012-09-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.863 Å)
Cite: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
Descriptor: 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
Authors: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)
Deposit date:2012-08-11
Release date:2012-09-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: CHLORIDE ION, HYGROMYCIN B VARIANT, Hygromycin-B 4-O-kinase
Authors: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)
Deposit date:2011-09-26
Release date:2011-10-12
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
Authors: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.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: Beta-lactamase, [[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
Authors: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.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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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OXA-48 in complex with FPI-1465
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors: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.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors: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.
Deposit date:2015-12-12
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors: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.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: Beta-lactamase, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
Authors: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.
Deposit date:2015-12-11
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.01 Å)
Cite: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
Descriptor: 6-bromo-N'-[(1Z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Roderick, S.L, Pesaresi, A, Wright, G.D.
Deposit date:2008-06-18
Release date:2009-09-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (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, ...
Authors:Culp, E.J, Sychantha, D, Hobson, C, Pawlowski, A.J, Prehna, G, Wright, G.D.
Deposit date:2021-04-21
Release date:2022-02-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: Homoserine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINE, SODIUM ION
Authors: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.
Deposit date:2003-08-18
Release date:2003-10-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-2-ISOPROPYLPHENOL, Homoserine dehydrogenase
Authors:Ejim, L, Mirza, I.A, Capone, C, Nazi, I, Jenkins, S, Chee, G.L, Berghuis, A.M, Wright, G.D.
Deposit date:2004-06-29
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: Homoserine O-acetyltransferase
Authors:Mirza, I.A, Nazi, I, Korczynska, M, Wright, G.D, Berghuis, A.M.
Deposit date:2005-09-29
Release date:2005-11-15
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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.
Descriptor: D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION
Authors:Zhang, K, DeLeon, G, Wright, G.D, Junop, M.S.
Deposit date:2006-04-07
Release date:2007-04-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: GLYCINE, RIFAMPICIN, Rifampin ADP-ribosyl transferase
Authors:Baysarowich, J, Wright, G.D, Junop, M.
Deposit date:2006-07-31
Release date:2007-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Cox, G, Kelso, J, Stogios, P.J, Savchenko, A, Anderson, W.F, Wright, G.D, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-05-08
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.391 Å)
Cite: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
Descriptor: 1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone, FE (III) ION, Ferrichrome-iron receptor, ...
Authors:Josts, I, Tidow, H.
Deposit date:2022-09-19
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
Descriptor: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ...
Authors: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)
Deposit date:2017-11-16
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite: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
Descriptor: ACETATE ION, GLYCEROL, PHOSPHATE ION, ...
Authors: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)
Deposit date:2017-11-16
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite: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
Descriptor: ACETATE ION, GLYCEROL, PHOSPHATE ION, ...
Authors: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)
Deposit date:2017-11-16
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
Descriptor: CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ...
Authors: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)
Deposit date:2017-11-16
Release date:2018-01-31
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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.
Descriptor: CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, PHOSPHATE ION, ...
Authors:Sugiman-Marangos, S.N, Junop, M.S.
Deposit date:2009-12-14
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.954 Å)
Cite: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.
Descriptor: CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION
Authors:Sugiman-Marangos, S.N, Junop, M.S.
Deposit date:2009-12-14
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACYLDEPSIPEPTIDE 1, ATP-dependent Clp protease proteolytic subunit
Authors:Chung, Y.S.
Deposit date:2010-04-30
Release date:2010-11-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.901 Å)
Cite: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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