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PDB: 150 results

4XJE
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CRYSTAL STRUCTURE OF ANT(2") IN COMPLEX WITH AMP AND TOBRAMYCIN
Descriptor: ADENOSINE MONOPHOSPHATE, AadB, GLYCEROL, ...
Authors:Rodionov, D, Bassenden, A.V, Berghuis, A.M.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Revisiting the Catalytic Cycle and Kinetic Mechanism of AminoglycosideO-Nucleotidyltransferase(2′′): A Structural and Kinetic Study.
Acs Chem.Biol., 2020
4XQR
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Crystal structure of unliganded human FPPS at 2.15 angstrom resolution
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Park, J, Berghuis, A.M.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of unliganded human FPPS at 2.15 angstrom resolution
To Be Published
4XQT
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Crystal structure of human FPPS in complex with three magnesium ions
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION
Authors:Park, J, Berghuis, A.M.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human FPPS in complex with three magnesium ions
To Be Published
4XQS
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Crystal structure of human FPPS in complex with one magnesium ion
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION
Authors:Park, J, Berghuis, A.M.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human FPPS in complex with one magnesium ion
To Be Published
2B0Q
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BU of 2b0q by Molmil
Crystal Structure Of 3',5"-Aminoglycoside Phosphotransferase Type IIIa ADP Neomycin B Complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Aminoglycoside 3'-phosphotransferase, MAGNESIUM ION, ...
Authors:Fong, D.H, Berghuis, A.M.
Deposit date:2005-09-14
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substrate promiscuity of an aminoglycoside antibiotic resistance enzyme via target mimicry.
Embo J., 21, 2002
2B7L
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Crystal Structure of CTP:Glycerol-3-Phosphate Cytidylyltransferase from Staphylococcus aureus
Descriptor: glycerol-3-phosphate cytidylyltransferase
Authors:Fong, D.H, Yim, V.C.-N, D'Elia, M.A, Brown, E.D, Berghuis, A.M.
Deposit date:2005-10-04
Release date:2006-06-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of CTP:glycerol-3-phosphate cytidylyltransferase from Staphylococcus aureus: examination of structural basis for kinetic mechanism.
Biochim.Biophys.Acta, 1764, 2006
2B61
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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
7LH5
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BU of 7lh5 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with plazomicin, mRNA and tRNAs
Descriptor: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide, 16S ribosomal RNA, 23S ribosomal RNA, ...
Authors:Golkar, T, Berghuis, A.M, Schmeing, T.M.
Deposit date:2021-01-21
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Structural basis for plazomicin antibiotic action and resistance.
Commun Biol, 4, 2021
7JZS
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BU of 7jzs by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with CoA
Descriptor: Aminoglycoside 2'-N-acetyltransferase, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
Authors:Park, J, Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-09-02
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021
5JUZ
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Crystal structure of human FPPS in complex with an allosteric inhibitor CL-06-057
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, [(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid
Authors:Park, J, Magder, A, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-05-10
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
5JV2
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Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-055
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ...
Authors:Park, J, Magder, A, Tsakos, M, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-05-10
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
2Z2N
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BU of 2z2n by Molmil
Crystal Structure of selenomethionine substituted virginiamycin B lyase from Staphylococcus aureus
Descriptor: CHLORIDE ION, virginiamycin B lyase
Authors:Korczynska, M, Berghuis, A.M.
Deposit date:2007-05-25
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for streptogramin B resistance in Staphylococcus aureus by virginiamycin B lyase
Proc.Natl.Acad.Sci.Usa, 104, 2007
2Z2P
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Crystal Structure of catalytically inactive H270A virginiamycin B lyase from Staphylococcus aureus with Quinupristin
Descriptor: 5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE, MAGNESIUM ION, Quinupristin, ...
Authors:Korczynska, M, Berghuis, A.M.
Deposit date:2007-05-25
Release date:2007-06-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Streptogramin B Resistance in Staphylococcus Aureus by Virginiamycin B Lyase
Proc.Natl.Acad.Sci.USA, 104, 2007
5KSX
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Crystal structure of human FPPS in complex with an allosteric inhibitor AM-02-072
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION, [[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid
Authors:Park, J, Matralis, A, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-07-10
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
1SB8
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BU of 1sb8 by Molmil
Crystal structure of Pseudomonas aeruginosa UDP-N-acetylglucosamine 4-epimerase complexed with UDP-N-acetylgalactosamine
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE, wbpP
Authors:Ishiyama, N, Creuzenet, C, Lam, J.S, Berghuis, A.M.
Deposit date:2004-02-10
Release date:2004-05-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of WbpP, a Genuine UDP-N-acetylglucosamine 4-Epimerase from Pseudomonas aeruginosa: SUBSTRATE SPECIFICITY IN UDP-HEXOSE 4-EPIMERASES.
J.Biol.Chem., 279, 2004
1SB9
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Crystal structure of Pseudomonas aeruginosa UDP-N-acetylglucosamine 4-epimerase complexed with UDP-glucose
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCOSE, wbpP
Authors:Ishiyama, N, Creuzenet, C, Lam, J.S, Berghuis, A.M.
Deposit date:2004-02-10
Release date:2004-05-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of WbpP, a Genuine UDP-N-acetylglucosamine 4-Epimerase from Pseudomonas aeruginosa: SUBSTRATE SPECIFICITY IN UDP-HEXOSE 4-EPIMERASES.
J.Biol.Chem., 279, 2004
5KQJ
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BU of 5kqj by Molmil
Solution Structure of Antibiotic-Resistance Factor ANT(2'')-Ia Reveals Substrate-Regulated Conformation Dynamics
Descriptor: 2''-aminoglycoside nucleotidyltransferase
Authors:Bacot-Davis, V.R, Berghuis, A.M.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Effect of solvent and protein dynamics in ligand recognition and inhibition of aminoglycoside adenyltransferase 2′′-Ia.
Protein Sci., 26, 2017
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
2Z2O
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BU of 2z2o by Molmil
Crystal Structure of apo virginiamycin B lyase from Staphylococcus aureus
Descriptor: CHLORIDE ION, virginiamycin B lyase
Authors:Korczynska, M, Berghuis, A.M.
Deposit date:2007-05-25
Release date:2007-06-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for streptogramin B resistance in Staphylococcus aureus by virginiamycin B lyase
Proc.Natl.Acad.Sci.Usa, 104, 2007
5BYL
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BU of 5byl by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPCP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2015-06-10
Release date:2016-05-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5CFS
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BU of 5cfs by Molmil
Crystal Structure of ANT(2")-Ia in complex with AMPCPP and tobramycin
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, AAD(2''),Gentamicin 2''-nucleotidyltransferase,Gentamicin resistance protein, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Rodionov, D, Bassenden, A.V, Berghuis, A.M.
Deposit date:2015-07-08
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design.
Acs Chem.Biol., 11, 2016
5CFT
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Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1
Descriptor: Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ...
Authors:Rodionov, D, Bassenden, A.V, Berghuis, A.M.
Deposit date:2015-07-08
Release date:2016-03-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design.
Acs Chem.Biol., 11, 2016
5CFU
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Crystal Structure of ANT(2")-Ia in complex with adenylyl-2"-tobramycin
Descriptor: 1,4-BUTANEDIOL, Aminoglycoside Nucleotidyltransferase (2")-Ia, MANGANESE (II) ION, ...
Authors:Rodionov, D, Bassenden, A.V, Berghuis, A.M.
Deposit date:2015-07-08
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Revisiting the Catalytic Cycle and Kinetic Mechanism of AminoglycosideO-Nucleotidyltransferase(2′′): A Structural and Kinetic Study.
Acs Chem.Biol., 2020
6VOU
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Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-plazomicin and CoA
Descriptor: (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide, (4S)-2-METHYL-2,4-PENTANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, ...
Authors:Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-01-31
Release date:2021-06-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for plazomicin antibiotic action and resistance.
Commun Biol, 4, 2021
6VR3
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BU of 6vr3 by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-netilmicin and CoA
Descriptor: Aminoglycoside 2'-N-acetyltransferase, COENZYME A, N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
Authors:Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-02-06
Release date:2021-06-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021

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