2FZM
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![BU of 2fzm by Molmil](/molmil-images/mine/2fzm) | |
2GDO
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![BU of 2gdo by Molmil](/molmil-images/mine/2gdo) | 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors | Descriptor: | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Le, V, Dove, J, Fang, E, Bussiere, D.E. | Deposit date: | 2006-03-16 | Release date: | 2007-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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5J4V
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![BU of 5j4v by Molmil](/molmil-images/mine/5j4v) | The crystal structure of Inhibitor Bound to JCV Helicase | Descriptor: | 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ... | Authors: | Ter Haar, E. | Deposit date: | 2016-04-01 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors. J.Med.Chem., 59, 2016
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5J47
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![BU of 5j47 by Molmil](/molmil-images/mine/5j47) | The X-ray structure of Inhibitor Bound to JCV Helicase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, Large T antigen, ... | Authors: | Ter Haar, E. | Deposit date: | 2016-03-31 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors. J.Med.Chem., 59, 2016
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5J40
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![BU of 5j40 by Molmil](/molmil-images/mine/5j40) | The X-ray structure of JCV Helicase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, SULFATE ION, ... | Authors: | Ter Haar, E. | Deposit date: | 2016-03-31 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors. J.Med.Chem., 59, 2016
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2GPE
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![BU of 2gpe by Molmil](/molmil-images/mine/2gpe) | |
2GU8
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![BU of 2gu8 by Molmil](/molmil-images/mine/2gu8) | |
6A62
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![BU of 6a62 by Molmil](/molmil-images/mine/6a62) | Placental protein 13/galectin-13 variant R53HH57RD33G with Lactose | Descriptor: | Galactoside-binding soluble lectin 13, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J. | Deposit date: | 2018-06-26 | Release date: | 2018-12-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose Biosci. Rep., 38, 2018
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6A1T
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![BU of 6a1t by Molmil](/molmil-images/mine/6a1t) | Charcot-Leyden crystal protein/Galectin-10 variant E33A with lactose | Descriptor: | Galectin-10, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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6A1U
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![BU of 6a1u by Molmil](/molmil-images/mine/6a1u) | Charcot-Leyden crystal protein/Galectin-10 variant E33D | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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6A64
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![BU of 6a64 by Molmil](/molmil-images/mine/6a64) | Placental protein 13/galectin-13 variant R53HR55NH57RD33G with Lactose | Descriptor: | Galactoside-binding soluble lectin 13, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J. | Deposit date: | 2018-06-26 | Release date: | 2018-12-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose Biosci. Rep., 38, 2018
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6A1Y
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![BU of 6a1y by Molmil](/molmil-images/mine/6a1y) | Charcot-Leyden crystal protein/Galectin-10 variant Y35A | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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6A65
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![BU of 6a65 by Molmil](/molmil-images/mine/6a65) | Placental protein 13/galectin-13 variant R53HR55N with Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Galactoside-binding soluble lectin 13 | Authors: | Su, J. | Deposit date: | 2018-06-26 | Release date: | 2018-12-26 | Method: | X-RAY DIFFRACTION (1.771 Å) | Cite: | Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose Biosci. Rep., 38, 2018
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5ZXL
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![BU of 5zxl by Molmil](/molmil-images/mine/5zxl) | Structure of GldA from E.coli | Descriptor: | CHLORIDE ION, GLYCEROL, Glycerol dehydrogenase, ... | Authors: | Zhang, J, Lin, L. | Deposit date: | 2018-05-21 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Structure of glycerol dehydrogenase (GldA) from Escherichia coli. Acta Crystallogr F Struct Biol Commun, 75, 2019
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6A1V
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![BU of 6a1v by Molmil](/molmil-images/mine/6a1v) | Charcot-Leyden crystal protein/Galectin-10 variant E33Q | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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6A1S
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![BU of 6a1s by Molmil](/molmil-images/mine/6a1s) | Charcot-Leyden crystal protein/Galectin-10 variant E33A | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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6A63
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![BU of 6a63 by Molmil](/molmil-images/mine/6a63) | Placental protein 13/galectin-13 variant R53HH57R with Lactose | Descriptor: | Galactoside-binding soluble lectin 13, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J. | Deposit date: | 2018-06-26 | Release date: | 2018-12-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose Biosci. Rep., 38, 2018
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6A66
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![BU of 6a66 by Molmil](/molmil-images/mine/6a66) | Placental protein 13/galectin-13 variant R53H with Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Galactoside-binding soluble lectin 13 | Authors: | Su, J.Y. | Deposit date: | 2018-06-26 | Release date: | 2018-12-26 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose Biosci. Rep., 38, 2018
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6A1X
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![BU of 6a1x by Molmil](/molmil-images/mine/6a1x) | Charcot-Leyden crystal protein/Galectin-10 variant W127A | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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6JQ2
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![BU of 6jq2 by Molmil](/molmil-images/mine/6jq2) | Crystal Structure of H2-Kb in complex with a DPAGT1 self-peptide | Descriptor: | Beta-2-microglobulin, DPATG1 antigen SIIVFNLV, H-2 class I histocompatibility antigen, ... | Authors: | Bai, P, Yin, L. | Deposit date: | 2019-03-28 | Release date: | 2020-04-01 | Last modified: | 2021-02-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy. Oncoimmunology, 10, 2021
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6KI0
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![BU of 6ki0 by Molmil](/molmil-images/mine/6ki0) | Crystal Structure of Human ASC-CARD | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Xu, Z.H, Jin, T.C. | Deposit date: | 2019-07-16 | Release date: | 2020-07-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Homotypic CARD-CARD interaction is critical for the activation of NLRP1 inflammasome. Cell Death Dis, 12, 2021
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5URA
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![BU of 5ura by Molmil](/molmil-images/mine/5ura) | Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP7 | Descriptor: | (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, brain, ... | Authors: | Hsu, H.-C, Li, H. | Deposit date: | 2017-02-09 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85002172 Å) | Cite: | The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites. Biochemistry, 56, 2017
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5UR9
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![BU of 5ur9 by Molmil](/molmil-images/mine/5ur9) | Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 | Descriptor: | (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, epidermal, ... | Authors: | Hsu, H.-C, Li, H. | Deposit date: | 2017-02-09 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.19800353 Å) | Cite: | The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites. Biochemistry, 56, 2017
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6JMD
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![BU of 6jmd by Molmil](/molmil-images/mine/6jmd) | Crystal structure of human DHODH in complex with inhibitor 1223 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-03-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6JME
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![BU of 6jme by Molmil](/molmil-images/mine/6jme) | Crystal structure of human DHODH in complex with inhibitor 0946 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-03-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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