7DHK
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![BU of 7dhk by Molmil](/molmil-images/mine/7dhk) | The co-crystal structure of DYRK2 with a small molecule inhibitor 13 | Descriptor: | 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-16 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7DHV
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![BU of 7dhv by Molmil](/molmil-images/mine/7dhv) | The co-crystal structure of DYRK2 with a small molecule inhibitor 8 | Descriptor: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-17 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.679 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7DJO
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![BU of 7djo by Molmil](/molmil-images/mine/7djo) | The co-crystal structure of DYRK2 with a small molecule inhibitor 17 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-20 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7DL6
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![BU of 7dl6 by Molmil](/molmil-images/mine/7dl6) | The co-crystal structure of DYRK2 with a small molecule inhibitor 18 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-26 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.648 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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2OBT
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![BU of 2obt by Molmil](/molmil-images/mine/2obt) | |
2OBS
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![BU of 2obs by Molmil](/molmil-images/mine/2obs) | |
3BLI
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![BU of 3bli by Molmil](/molmil-images/mine/3bli) | |
3BLE
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![BU of 3ble by Molmil](/molmil-images/mine/3ble) | |
3BLF
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![BU of 3blf by Molmil](/molmil-images/mine/3blf) | |
5I5H
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![BU of 5i5h by Molmil](/molmil-images/mine/5i5h) | Ecoli global domain 245-586 | Descriptor: | Inner membrane protein YejM | Authors: | Dong, C, Dong, H. | Deposit date: | 2016-02-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria. Sci Rep, 6, 2016
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5I9M
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![BU of 5i9m by Molmil](/molmil-images/mine/5i9m) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT408 | Descriptor: | 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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5J5A
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![BU of 5j5a by Molmil](/molmil-images/mine/5j5a) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556) | Descriptor: | METHIONINE, Methionyl-tRNA synthetase, putative, ... | Authors: | Barros-Alvarez, X, Koh, C.Y, Hol, W.G.J. | Deposit date: | 2016-04-01 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors. Eur J Med Chem, 124, 2016
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7YTX
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![BU of 7ytx by Molmil](/molmil-images/mine/7ytx) | Crystal structure of TLR8 in complex with its antagonist | Descriptor: | (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shimizu, T, Sakaniwa, K. | Deposit date: | 2022-08-16 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A novel Toll-like receptor 7/8-specific antagonist E6742 ameliorates clinically relevant disease parameters in murine models of lupus. Eur.J.Pharmacol., 957, 2023
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5J58
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![BU of 5j58 by Molmil](/molmil-images/mine/5j58) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856) | Descriptor: | (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2016-04-01 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors. Eur J Med Chem, 124, 2016
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5J59
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![BU of 5j59 by Molmil](/molmil-images/mine/5j59) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893) | Descriptor: | 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine, GLYCEROL, METHIONINE, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2016-04-01 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors. Eur J Med Chem, 124, 2016
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5K0S
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![BU of 5k0s by Molmil](/molmil-images/mine/5k0s) | |
1XPC
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![BU of 1xpc by Molmil](/molmil-images/mine/1xpc) | |
1XP1
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![BU of 1xp1 by Molmil](/molmil-images/mine/1xp1) | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15 | Descriptor: | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor | Authors: | Fitzgerald, P.M.D, Sharma, N. | Deposit date: | 2004-10-07 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg.Med.Chem.Lett., 15, 2005
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1XP9
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![BU of 1xp9 by Molmil](/molmil-images/mine/1xp9) | |
1XP6
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![BU of 1xp6 by Molmil](/molmil-images/mine/1xp6) | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16 | Descriptor: | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor | Authors: | Fitzgerald, P.M.D, Sharma, N. | Deposit date: | 2004-10-08 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg.Med.Chem.Lett., 15, 2005
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5I9N
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![BU of 5i9n by Molmil](/molmil-images/mine/5i9n) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT412 | Descriptor: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.512 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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5DG2
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![BU of 5dg2 by Molmil](/molmil-images/mine/5dg2) | Sugar binding protein - human galectin-2 (dimer) | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Su, J.Y, Si, Y.L. | Deposit date: | 2015-08-27 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.612 Å) | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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5I7E
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![BU of 5i7e by Molmil](/molmil-images/mine/5i7e) | |
5K0T
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![BU of 5k0t by Molmil](/molmil-images/mine/5k0t) | |
5DG1
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![BU of 5dg1 by Molmil](/molmil-images/mine/5dg1) | Sugar binding protein - human galectin-2 | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J.Y, Si, Y.L. | Deposit date: | 2015-08-27 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim.Biophys.Sin., 2016
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