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PDB: 150 results

4DT8
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BU of 4dt8 by Molmil
Crystal Structure of Aminoglycoside-2''-Phosphotransferase Type IVa in Complex with Adenosine
Descriptor: ADENOSINE, APH(2'')-Id, CHLORIDE ION
Authors:Shi, K, Berghuis, A.M.
Deposit date:2012-02-20
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for Dual Nucleotide Selectivity of Aminoglycoside 2''-Phosphotransferase IVa Provides Insight on Determinants of Nucleotide Specificity of Aminoglycoside Kinases.
J.Biol.Chem., 287, 2012
4DT9
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BU of 4dt9 by Molmil
Crystal Structure of Aminoglycoside-2''-Phosphotransferase Type IVa in Complex with Guanosine
Descriptor: APH(2'')-Id, GUANOSINE
Authors:Shi, K, Berghuis, A.M.
Deposit date:2012-02-20
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Dual Nucleotide Selectivity of Aminoglycoside 2''-Phosphotransferase IVa Provides Insight on Determinants of Nucleotide Specificity of Aminoglycoside Kinases.
J.Biol.Chem., 287, 2012
4DTA
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BU of 4dta by Molmil
Crystal Structure of F95M Aminoglycoside-2''-Phosphotransferase Type IVa in Complex with Adenosine
Descriptor: ADENOSINE, APH(2'')-Id
Authors:Shi, K, Berghuis, A.M.
Deposit date:2012-02-20
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis for Dual Nucleotide Selectivity of Aminoglycoside 2''-Phosphotransferase IVa Provides Insight on Determinants of Nucleotide Specificity of Aminoglycoside Kinases.
J.Biol.Chem., 287, 2012
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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BU of 5cft by Molmil
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
3SFM
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BU of 3sfm by Molmil
Novel crystallization conditions for tandem variant R67 DHFR yields wild-type crystal structure
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Dihydrofolate reductase type 2
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2011-06-13
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Novel crystallization conditions for tandem variant R67 DHFR yield a wild-type crystal structure.
Acta Crystallogr.,Sect.F, 67, 2011
3SG9
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BU of 3sg9 by Molmil
Crystal Structure of Aminoglycoside-2''-Phosphotransferase Type IVa Kanamycin A Complex
Descriptor: APH(2'')-Id, CHLORIDE ION, KANAMYCIN A
Authors:Shi, K, Houston, D.R, Berghuis, A.M.
Deposit date:2011-06-14
Release date:2011-06-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2''-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases.
Biochemistry, 50, 2011
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
5CFU
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BU of 5cfu by Molmil
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
3UCL
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BU of 3ucl by Molmil
Cyclohexanone-bound crystal structure of cyclohexanone monooxygenase in the Rotated conformation
Descriptor: CYCLOHEXANONE, Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2011-10-27
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:The Substrate-Bound Crystal Structure of a Baeyer-Villiger Monooxygenase Exhibits a Criegee-like Conformation.
J.Am.Chem.Soc., 134, 2012
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:2024-10-30
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Structural basis for plazomicin antibiotic action and resistance.
Commun Biol, 4, 2021
5JA0
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BU of 5ja0 by Molmil
Crystal structure of human FPPS with allosterically bound FPP
Descriptor: FARNESYL DIPHOSPHATE, Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Park, J, Zielinski, M, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-04-11
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human farnesyl pyrophosphate synthase is allosterically inhibited by its own product.
Nat Commun, 8, 2017
5JV0
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BU of 5jv0 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038
Descriptor: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
Authors:Park, J, 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
5JV1
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BU of 5jv1 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-066
Descriptor: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
Authors:Park, J, 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 (2.3 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
5JUZ
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BU of 5juz by Molmil
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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BU of 5jv2 by Molmil
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
5KSX
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BU of 5ksx by Molmil
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
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
3Q2J
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BU of 3q2j by Molmil
Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type IIIa Protein Kinase Inhibitor CKI-7 Complex
Descriptor: Aminoglycoside 3'-phosphotransferase, CALCIUM ION, N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE
Authors:Fong, D.H, Xiong, B, Hwang, J, Berghuis, A.M.
Deposit date:2010-12-20
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1501 Å)
Cite:Crystal structures of two aminoglycoside kinases bound with a eukaryotic protein kinase inhibitor.
Plos One, 6, 2011
3SG8
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BU of 3sg8 by Molmil
Crystal Structure of Aminoglycoside-2''-Phosphotransferase Type IVa Tobramycin Complex
Descriptor: APH(2'')-Id, CHLORIDE ION, TOBRAMYCIN
Authors:Shi, K, Houston, D.R, Berghuis, A.M.
Deposit date:2011-06-14
Release date:2011-06-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2''-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases.
Biochemistry, 50, 2011
3SGC
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BU of 3sgc by Molmil
Crystal Structure of Apo Aminoglycoside-2''-Phosphotransferase Type IVa
Descriptor: APH(2'')-Id
Authors:Shi, K, Houston, D.R, Berghuis, A.M.
Deposit date:2011-06-14
Release date:2011-06-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2''-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases.
Biochemistry, 50, 2011
2GNA
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BU of 2gna by Molmil
Crystal structure of UDP-GlcNAc inverting 4,6-dehydratase in complex with NADP and UDP-Gal
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GALACTOSE-URIDINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Ishiyama, N, Creuzenet, C, Lam, J.S, Berghuis, A.M.
Deposit date:2006-04-09
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Studies of FlaA1 from Helicobacter pylori Reveal the Mechanism for Inverting 4,6-Dehydratase Activity.
J.Biol.Chem., 281, 2006
4DTB
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BU of 4dtb by Molmil
Crystal Structure of F95Y Aminoglycoside-2''-Phosphotransferase Type IVa in Complex with Guanosine
Descriptor: APH(2'')-Id, CHLORIDE ION, GUANOSINE
Authors:Shi, K, Berghuis, A.M.
Deposit date:2012-02-20
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Dual Nucleotide Selectivity of Aminoglycoside 2''-Phosphotransferase IVa Provides Insight on Determinants of Nucleotide Specificity of Aminoglycoside Kinases.
J.Biol.Chem., 287, 2012
4H5E
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BU of 4h5e by Molmil
Crystal structure of human FPPS in ternary complex with YS0470 and isopentenyl pyrophosphate
Descriptor: Farnesyl pyrophosphate synthase, ISOPENTYL PYROPHOSPHATE, MAGNESIUM ION, ...
Authors:Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2012-09-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure.
Bmc Struct.Biol., 12, 2012

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