6CH4
 
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6CGG
 | | Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Arbekacin | | Descriptor: | Arbekacin, Bifunctional AAC/APH, CHLORIDE ION, ... | | Authors: | Caldwell, S.J, Berghuis, A.M. | | Deposit date: | 2018-02-20 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
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6CAV
 | | Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Dibekacin | | Descriptor: | Bifunctional AAC/APH, CHLORIDE ION, Dibekacin, ... | | Authors: | Caldwell, S.J, Berghuis, A.M. | | Deposit date: | 2018-02-01 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
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6CGD
 | | Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Amikacin | | Descriptor: | (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, ... | | Authors: | Caldwell, S.J, Berghuis, A.M. | | Deposit date: | 2018-02-20 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
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4ID4
 | | Crystal structure of chimeric beta-lactamase cTEM-17m | | Descriptor: | Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ... | | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | Deposit date: | 2012-12-11 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Maintenance of Native-like Protein Dynamics May Not Be Required for Engineering Functional Proteins.
Chem.Biol., 21, 2014
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6C57
 | | Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in complex with bisphosphonate inhibitor FV0109 | | Descriptor: | Geranylgeranyl pyrophosphate synthase, {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) | | Authors: | Park, J, Bin, X, Vincent, F, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2018-01-15 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors.
J. Med. Chem., 61, 2018
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6C5U
 | | Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Ribostamycin, Alternate form | | Descriptor: | Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Caldwell, S.J, Berghuis, A.M. | | Deposit date: | 2018-01-16 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
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4H5D
 | | Crystal structure of human FPPS in ternary complex with YS0470 and inorganic pyrophosphate | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | 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 (2.02 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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4JVJ
 | | Crystal structure of human FPPS in complex with magnesium, CL01131, and sulfate | | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Park, J, Leung, C.-Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-03-25 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Thienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition.
J.Med.Chem., 56, 2013
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4LPH
 | | Crystal structure of human FPPS in complex with CL03093 | | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION | | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-07-16 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
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4L2X
 | | Crystal structure of human FPPS in complex with magnesium, CL02134, and inorganic pyrophosphate | | Descriptor: | ({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Park, J, Leung, C.-Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-06-04 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Thienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition.
J.Med.Chem., 56, 2013
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4LFV
 | | Crystal structure of human FPPS in complex with YS0470 and two molecules of inorganic phosphate | | Descriptor: | CHLORIDE ION, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-06-27 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
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4LPG
 | | Crystal structure of human FPPS in complex with CL01131 | | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, PHOSPHATE ION | | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-07-16 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
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4MEZ
 | | Crystal structure of M68L/M69T double mutant TEM-1 | | Descriptor: | Beta-lactamase TEM, CHLORIDE ION, GLYCEROL, ... | | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | Deposit date: | 2013-08-27 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
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4NFJ
 | | Crystal structure of human FPPS in complex with magnesium, JDS05120, and sulfate | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Park, J, De Schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-10-31 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
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4NFI
 | | Crystal structure of human FPPS in complex with magnesium and JDS05120 | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) | | Authors: | Park, J, De Schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-10-31 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
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1L8T
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4NFK
 | | Crystal structure of human FPPS in complex with nickel, JDS05120, and sulfate | | Descriptor: | Farnesyl pyrophosphate synthase, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Park, J, De schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-10-31 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
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3SG8
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4PVX
 | | Crystal structure of human FPPS in complex with [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) | | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rodionov, D, Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2014-03-18 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
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4PVY
 | | Crystal structure of human FPPS in complex with [({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) | | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rodionov, D, Park, J, De Schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2014-03-18 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
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3SGC
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4RG3
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3Q2J
 | | 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
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4R4S
 | | Crystal structure of chimeric beta-lactamase cTEM-19m at 1.1 angstrom resolution | | Descriptor: | Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION | | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | Deposit date: | 2014-08-19 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
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