4LMY
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![BU of 4lmy by Molmil](/molmil-images/mine/4lmy) | Structure of GAS PerR-Zn-Zn | Descriptor: | Peroxide stress regulator PerR, FUR family, ZINC ION | Authors: | Lin, C.S, Chao, S.Y, Nix, J.C, Tseng, H.L, Tsou, C.C, Fei, C.H, Ciou, H.S, Jeng, U.S, Lin, Y.S, Chuang, W.J, Wu, J.J, Wang, S. | Deposit date: | 2013-07-11 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Distinct structural features of the peroxide response regulator from group a streptococcus drive DNA binding Plos One, 9, 2014
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4DEM
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![BU of 4dem by Molmil](/molmil-images/mine/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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6AR4
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![BU of 6ar4 by Molmil](/molmil-images/mine/6ar4) | Crystal structure of PICK1 in complex with the small molecule inhibitor 1o | Descriptor: | N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine, PRKCA-binding protein | Authors: | Marcotte, D. | Deposit date: | 2017-08-21 | Release date: | 2018-08-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Potent PDZ-Domain PICK1 Inhibitors that Modulate Amyloid Beta-Mediated Synaptic Dysfunction. Sci Rep, 8, 2018
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4QXS
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![BU of 4qxs by Molmil](/molmil-images/mine/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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8TWR
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![BU of 8twr by Molmil](/molmil-images/mine/8twr) | Influenza A virus (A/Aichi/2/1968(H3N2) nucleoprotein mutant - 2-7 deleted, P283S, R416A | Descriptor: | Nucleoprotein, SODIUM ION | Authors: | Yoon, J, Zhang, Y.M, Grant, R.A, Shoulders, M.D. | Deposit date: | 2023-08-21 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | The immune-evasive proline-283 substitution in influenza nucleoprotein increases aggregation propensity without altering the native structure. Sci Adv, 10, 2024
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8TWP
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![BU of 8twp by Molmil](/molmil-images/mine/8twp) | Influenza A virus (A/Aichi/2/1968(H3N2) nucleoprotein mutant - 2-7 deleted, R416A | Descriptor: | Nucleoprotein | Authors: | Yoon, J, Zhang, Y.M, Grant, R.A, Shoulders, M.D. | Deposit date: | 2023-08-21 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The immune-evasive proline-283 substitution in influenza nucleoprotein increases aggregation propensity without altering the native structure. Sci Adv, 10, 2024
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4LFV
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![BU of 4lfv by Molmil](/molmil-images/mine/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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8PKW
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![BU of 8pkw by Molmil](/molmil-images/mine/8pkw) | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5 (ortho-WRCDPETaEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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8PKX
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![BU of 8pkx by Molmil](/molmil-images/mine/8pkx) | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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8PKU
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![BU of 8pku by Molmil](/molmil-images/mine/8pku) | Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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8PKV
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![BU of 8pkv by Molmil](/molmil-images/mine/8pkv) | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4 (ortho-WRCDEETGEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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4LPG
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![BU of 4lpg by Molmil](/molmil-images/mine/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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4LPH
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![BU of 4lph by Molmil](/molmil-images/mine/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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4H5C
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![BU of 4h5c by Molmil](/molmil-images/mine/4h5c) | Crystal structure of human FPPS in ternary complex with YS0470 and inorganic phosphate | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE 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 (2.02 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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4H5E
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![BU of 4h5e by Molmil](/molmil-images/mine/4h5e) | 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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4H5D
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![BU of 4h5d by Molmil](/molmil-images/mine/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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4PVX
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![BU of 4pvx by Molmil](/molmil-images/mine/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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4NFI
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![BU of 4nfi by Molmil](/molmil-images/mine/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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4NFJ
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![BU of 4nfj by Molmil](/molmil-images/mine/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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4NFK
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![BU of 4nfk by Molmil](/molmil-images/mine/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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4PVY
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![BU of 4pvy by Molmil](/molmil-images/mine/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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7WVH
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![BU of 7wvh by Molmil](/molmil-images/mine/7wvh) | |
2JTC
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![BU of 2jtc by Molmil](/molmil-images/mine/2jtc) | 3D structure and backbone dynamics of SPE B | Descriptor: | Streptopain | Authors: | Chuang, W, Wang, C, Houng, H, Chen, C, Wang, P. | Deposit date: | 2007-07-26 | Release date: | 2008-08-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of streptopain: insight into diverse substrate specificity. J.Biol.Chem., 284, 2009
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