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PDB: 150 件
3SG8
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Crystal Structure of Aminoglycoside-2''-Phosphotransferase Type IVa Tobramycin Complex
分子名称: APH(2'')-Id, CHLORIDE ION, TOBRAMYCIN
著者Shi, K, Houston, D.R, Berghuis, A.M.
登録日2011-06-14
公開日2011-06-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2''-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases.
Biochemistry, 50, 2011
5JV1
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BU of 5jv1 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-066
分子名称: 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
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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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Crystal structure of human FPPS in complex with an allosteric inhibitor CL-06-057
分子名称: 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
著者Park, J, Magder, A, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ...
著者Park, J, Magder, A, Tsakos, M, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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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Crystal structure of human FPPS in complex with an allosteric inhibitor AM-02-072
分子名称: 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
著者Park, J, Matralis, A, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-07-10
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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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Solution Structure of Antibiotic-Resistance Factor ANT(2'')-Ia Reveals Substrate-Regulated Conformation Dynamics
分子名称: 2''-aminoglycoside nucleotidyltransferase
著者Bacot-Davis, V.R, Berghuis, A.M.
登録日2016-07-06
公開日2017-07-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Effect of solvent and protein dynamics in ligand recognition and inhibition of aminoglycoside adenyltransferase 2′′-Ia.
Protein Sci., 26, 2017
5JV0
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Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038
分子名称: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
5JA0
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Crystal structure of human FPPS with allosterically bound FPP
分子名称: FARNESYL DIPHOSPHATE, Farnesyl pyrophosphate synthase, PHOSPHATE ION
著者Park, J, Zielinski, M, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-04-11
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human farnesyl pyrophosphate synthase is allosterically inhibited by its own product.
Nat Commun, 8, 2017
4I58
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Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A
分子名称: Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Mirza, I.A, Berghuis, A.M.
登録日2012-11-28
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Analysis of a Novel Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A.
Plos One, 8, 2013
4ID4
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Crystal structure of chimeric beta-lactamase cTEM-17m
分子名称: Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ...
著者Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
登録日2012-12-11
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Maintenance of Native-like Protein Dynamics May Not Be Required for Engineering Functional Proteins.
Chem.Biol., 21, 2014
4JVJ
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BU of 4jvj by Molmil
Crystal structure of human FPPS in complex with magnesium, CL01131, and sulfate
分子名称: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Park, J, Leung, C.-Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-03-25
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Thienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition.
J.Med.Chem., 56, 2013
4L2X
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BU of 4l2x by Molmil
Crystal structure of human FPPS in complex with magnesium, CL02134, and inorganic pyrophosphate
分子名称: ({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Park, J, Leung, C.-Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-06-04
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Thienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition.
J.Med.Chem., 56, 2013
4LFV
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Crystal structure of human FPPS in complex with YS0470 and two molecules of inorganic phosphate
分子名称: CHLORIDE ION, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-06-27
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of human farnesyl pyrophosphate synthase in complex with an aminopyridine bisphosphonate and two molecules of inorganic phosphate.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4LPG
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BU of 4lpg by Molmil
Crystal structure of human FPPS in complex with CL01131
分子名称: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, PHOSPHATE ION
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-07-16
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
6C57
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BU of 6c57 by Molmil
Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in complex with bisphosphonate inhibitor FV0109
分子名称: Geranylgeranyl pyrophosphate synthase, {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
著者Park, J, Bin, X, Vincent, F, Tsantrizos, Y.S, Berghuis, A.M.
登録日2018-01-15
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors.
J. Med. Chem., 61, 2018
6C5U
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BU of 6c5u by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Ribostamycin, Alternate form
分子名称: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
著者Caldwell, S.J, Berghuis, A.M.
登録日2018-01-16
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
2GN9
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BU of 2gn9 by Molmil
Crystal structure of UDP-GlcNAc inverting 4,6-dehydratase in complex with NADP and UDP-Glc
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UDP-GlcNAc C6 dehydratase, ...
著者Ishiyama, N, Creuzenet, C, Lam, J.S, Berghuis, A.M.
登録日2006-04-09
公開日2006-05-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Studies of FlaA1 from Helicobacter pylori Reveal the Mechanism for Inverting 4,6-Dehydratase Activity.
J.Biol.Chem., 281, 2006
6CAV
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BU of 6cav by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Dibekacin
分子名称: Bifunctional AAC/APH, CHLORIDE ION, Dibekacin, ...
著者Caldwell, S.J, Berghuis, A.M.
登録日2018-02-01
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
6CGD
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BU of 6cgd by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Amikacin
分子名称: (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, Bifunctional AAC/APH, CHLORIDE ION, ...
著者Caldwell, S.J, Berghuis, A.M.
登録日2018-02-20
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
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
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GALACTOSE-URIDINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Ishiyama, N, Creuzenet, C, Lam, J.S, Berghuis, A.M.
登録日2006-04-09
公開日2006-05-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Studies of FlaA1 from Helicobacter pylori Reveal the Mechanism for Inverting 4,6-Dehydratase Activity.
J.Biol.Chem., 281, 2006
6C56
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Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in its Apo form
分子名称: Geranylgeranyl pyrophosphate synthase, {[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
著者Park, J, Ta, V, Tsantrizos, Y.S, Berghuis, A.M.
登録日2018-01-15
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors.
J. Med. Chem., 61, 2018
2GN4
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BU of 2gn4 by Molmil
Crystal structure of UDP-GlcNAc inverting 4,6-dehydratase in complex with NADPH and UDP-GlcNAc
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UDP-GlcNAc C6 dehydratase, ...
著者Ishiyama, N, Creuzenet, C, Lam, J.S, Berghuis, A.M.
登録日2006-04-09
公開日2006-05-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Studies of FlaA1 from Helicobacter pylori Reveal the Mechanism for Inverting 4,6-Dehydratase Activity.
J.Biol.Chem., 281, 2006
6CH4
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BU of 6ch4 by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia S376N mutant in complex with GMPPNP and Magnesium
分子名称: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
著者Caldwell, S.J, Berghuis, A.M.
登録日2018-02-21
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
6CGG
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BU of 6cgg by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Arbekacin
分子名称: Arbekacin, Bifunctional AAC/APH, CHLORIDE ION, ...
著者Caldwell, S.J, Berghuis, A.M.
登録日2018-02-20
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
6CEY
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BU of 6cey by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Lividomycin moieties
分子名称: (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL, Bifunctional AAC/APH, CHLORIDE ION, ...
著者Caldwell, S.J, Berghuis, A.M.
登録日2018-02-13
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018

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