7WZE
 
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4QXS
 | | Crystal structure of human FPPS in complex with WC01088 | | Descriptor: | (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ... | | Authors: | Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2014-07-21 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.
Bioorg.Med.Chem.Lett., 25, 2015
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4DEM
 | | Crystal structure of human FPPS in complex with YS_04_70 | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) | | Authors: | Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2012-01-20 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design and Synthesis of Active Site Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Apoptosis and Inhibition of ERK Phosphorylation in Multiple Myeloma Cells.
J.Med.Chem., 55, 2012
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6N7Y
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6N7Z
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6N83
 | | Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 | | Descriptor: | CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ... | | Authors: | Park, J, Schilling, M.A, Berghuis, A.M. | | Deposit date: | 2018-11-28 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
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6NAF
 | | De novo designed homo-trimeric amantadine-binding protein | | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein | | Authors: | Selvaraj, B, Park, J, Cuneo, M.J, Myles, D.A.A, Baker, D. | | Deposit date: | 2018-12-05 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-25 | | Method: | NEUTRON DIFFRACTION (1.923 Å), X-RAY DIFFRACTION | | Cite: | De novo design of a homo-trimeric amantadine-binding protein.
Elife, 8, 2019
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6OAH
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6OAG
 | | Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-82 | | Descriptor: | Farnesyl pyrophosphate synthase, PHOSPHATE ION, [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid | | Authors: | Park, J, Berghuis, A.M. | | Deposit date: | 2019-03-16 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
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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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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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7XQW
 | | Formate dehydrogenase (FDH) from Methylobacterium extorquens AM1 (MeFDH1) | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Park, J, Heo, Y.Y, Roh, S.H, Lee, H.H. | | Deposit date: | 2022-05-09 | | Release date: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Enzymatic conversion of CO2 in real flue gas to molar-scale formate
To Be Published
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7F4Y
 | | Crystal structure of replisomal dimer of DNA polymerase from bacteriophage RB69 with DNA duplexes | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*AP*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3'), ... | | Authors: | Youn, H.-S, Park, J, An, J.Y, Lee, Y, Eom, S.H, Wang, J. | | Deposit date: | 2021-06-21 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of New Binary and Ternary DNA Polymerase Complexes From Bacteriophage RB69.
Front Mol Biosci, 8, 2021
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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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4ITB
 | | Structure of bacterial enzyme in complex with cofactor and substrate | | Descriptor: | 1,2-ETHANEDIOL, 4-oxobutanoic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Rhee, S, Park, J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-24 | | Last modified: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Basis for a Cofactor-dependent Oxidation Protection and Catalysis of Cyanobacterial Succinic Semialdehyde Dehydrogenase.
J.Biol.Chem., 288, 2013
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4IT9
 | | Structure of Bacterial Enzyme | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Succinate-semialdehyde dehydrogenase | | Authors: | Rhee, S, Park, J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for a Cofactor-dependent Oxidation Protection and Catalysis of Cyanobacterial Succinic Semialdehyde Dehydrogenase.
J.Biol.Chem., 288, 2013
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4ITA
 | | Structure of bacterial enzyme in complex with cofactor | | Descriptor: | 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Succinate-semialdehyde dehydrogenase | | Authors: | Rhee, S, Park, J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-24 | | Last modified: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Basis for a Cofactor-dependent Oxidation Protection and Catalysis of Cyanobacterial Succinic Semialdehyde Dehydrogenase.
J.Biol.Chem., 288, 2013
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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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7JZS
 | | 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
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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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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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6C56
 | | Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in its Apo form | | Descriptor: | Geranylgeranyl pyrophosphate synthase, {[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) | | Authors: | Park, J, Ta, V, 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 (2.8 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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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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5XHW
 | | Crystal structure of HddC from Yersinia pseudotuberculosis | | Descriptor: | Putative 6-deoxy-D-mannoheptose pathway protein, SULFATE ION | | Authors: | Park, J, Kim, H, Kim, S, Shin, D.H. | | Deposit date: | 2017-04-24 | | Release date: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of d-glycero-alpha-d-manno-heptose-1-phosphate guanylyltransferase from Yersinia pseudotuberculosis.
Biochim. Biophys. Acta, 1866, 2018
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