8W4Q
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![BU of 8w4q by Molmil](/molmil-images/mine/8w4q) | Crystal structure of PDE4D complexed with CX-4945 | Descriptor: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4R
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![BU of 8w4r by Molmil](/molmil-images/mine/8w4r) | Crystal structure of PDE4D complexed with CVT-313 | Descriptor: | 1,2-ETHANEDIOL, 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4S
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![BU of 8w4s by Molmil](/molmil-images/mine/8w4s) | Crystal structure of PDE5A in complex with CVT-313 | Descriptor: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4T
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![BU of 8w4t by Molmil](/molmil-images/mine/8w4t) | Crystal structure of PDE5A in complex with a novel inhibitor | Descriptor: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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2F17
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![BU of 2f17 by Molmil](/molmil-images/mine/2f17) | Mouse Thiamin Pyrophosphokinase in a Ternary Complex with Pyrithiamin Pyrophosphate and AMP at 2.5 angstrom | Descriptor: | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, ... | Authors: | Liu, J.Y, Timm, D.E, Hurley, T.D. | Deposit date: | 2005-11-14 | Release date: | 2005-11-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pyrithiamine as a substrate for thiamine pyrophosphokinase J.Biol.Chem., 281, 2006
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8K4H
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![BU of 8k4h by Molmil](/molmil-images/mine/8k4h) | Crystal structure of PDE4D complexed with benzbromarone | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-07-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8K4C
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![BU of 8k4c by Molmil](/molmil-images/mine/8k4c) | Crystal structure of PDE4D complexed with ethaverine hydrochloride | Descriptor: | 1,2-ETHANEDIOL, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-07-17 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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7YSX
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![BU of 7ysx by Molmil](/molmil-images/mine/7ysx) | Crystal structure of PDE4D complexed with licoisoflavone A | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2022-08-13 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19. Proc.Natl.Acad.Sci.USA, 120, 2023
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7YQF
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![BU of 7yqf by Molmil](/molmil-images/mine/7yqf) | Crystal structure of PDE4D complexed with glycyrrhisoflavone | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2022-08-06 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19. Proc.Natl.Acad.Sci.USA, 120, 2023
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1KN1
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![BU of 1kn1 by Molmil](/molmil-images/mine/1kn1) | Crystal structure of allophycocyanin | Descriptor: | Allophycocyanin, PHYCOCYANOBILIN | Authors: | Liang, D.C, Liu, J.Y, Jiang, T, Zhang, J.P, Chang, W.R. | Deposit date: | 2001-12-18 | Release date: | 2002-12-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Allophycocyanin from red algae Porphyra yezoensis at 2.2 A resolution J.BIOL.CHEM., 274, 1999
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