4PFX
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![BU of 4pfx by Molmil](/molmil-images/mine/4pfx) | |
4PHS
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5FI7
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![BU of 5fi7 by Molmil](/molmil-images/mine/5fi7) | Crystal structure of human GAC in complex with inhibitor UPGL_00015: 2-phenyl-~{N}-[5-[(3~{S})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide | Descriptor: | 2-phenyl-~{N}-[5-[(3~{S})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R. | Deposit date: | 2015-12-22 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and evaluation of novel glutaminase inhibitors. Bioorg.Med.Chem., 24, 2016
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5FI6
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![BU of 5fi6 by Molmil](/molmil-images/mine/5fi6) | Crystal structure of human GAC in complex with inhibitor UPGL_00011: 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide | Descriptor: | 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R. | Deposit date: | 2015-12-22 | Release date: | 2016-05-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Design and evaluation of novel glutaminase inhibitors. Bioorg.Med.Chem., 24, 2016
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5YLS
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![BU of 5yls by Molmil](/molmil-images/mine/5yls) | Crystal structure of T2R-TTL-Y50 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one, ... | Authors: | Yang, J.H, Chen, L.J. | Deposit date: | 2017-10-18 | Release date: | 2018-04-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin. J. Biol. Chem., 293, 2018
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5YLJ
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![BU of 5ylj by Molmil](/molmil-images/mine/5ylj) | Crystal structure of T2R-TTL-Millepachine complex | Descriptor: | (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yang, J.H, Chen, L.J. | Deposit date: | 2017-10-17 | Release date: | 2018-04-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin. J. Biol. Chem., 293, 2018
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5FI2
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![BU of 5fi2 by Molmil](/molmil-images/mine/5fi2) | Crystal structure of human GAC in complex with inhibitor UPGL_00009: 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol- 2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide | Descriptor: | 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R. | Deposit date: | 2015-12-22 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and evaluation of novel glutaminase inhibitors. Bioorg.Med.Chem., 24, 2016
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6MUW
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![BU of 6muw by Molmil](/molmil-images/mine/6muw) | The structure of the Plasmodium falciparum 20S proteasome. | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Metcalfe, R.D, Xie, S.C, Hanssen, E, Gillett, D.L, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2018-10-23 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis. Nat Microbiol, 4, 2019
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6MUV
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![BU of 6muv by Molmil](/molmil-images/mine/6muv) | The structure of the Plasmodium falciparum 20S proteasome in complex with two PA28 activators | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Metcalfe, R.D, Xie, S.C, Hanssen, E, Gillett, D.L, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2018-10-23 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis. Nat Microbiol, 4, 2019
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6MUX
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![BU of 6mux by Molmil](/molmil-images/mine/6mux) | The structure of the Plasmodium falciparum 20S proteasome in complex with one PA28 activator | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Metcalfe, R.D, Xie, S.C, Hanssen, E, Gillett, D.L, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2018-10-23 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis. Nat Microbiol, 4, 2019
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7FCZ
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![BU of 7fcz by Molmil](/molmil-images/mine/7fcz) | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | Descriptor: | N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2021-07-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7FD0
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![BU of 7fd0 by Molmil](/molmil-images/mine/7fd0) | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | Descriptor: | N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2021-07-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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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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5ZVS
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![BU of 5zvs by Molmil](/molmil-images/mine/5zvs) | |
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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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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5ZVT
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![BU of 5zvt by Molmil](/molmil-images/mine/5zvt) | Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly | Descriptor: | C-terminus of outer capsid protein VP5, Core protein VP6, MYRISTIC ACID, ... | Authors: | Liu, H, Fang, Q, Cheng, L. | Deposit date: | 2018-05-12 | Release date: | 2018-07-04 | Last modified: | 2018-07-25 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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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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