8K0D
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8K0C
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3SHZ
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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3ML8
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3SHY
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.647 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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6ILL
| Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6OQ7
| Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3 | Descriptor: | E3, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Chen, P, Lam, K, Jin, R. | Deposit date: | 2019-04-25 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of the full-length Clostridium difficile toxin B. Nat.Struct.Mol.Biol., 26, 2019
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6ILM
| Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 7.4 | Descriptor: | Beta-2-microglobulin, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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3ML9
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6OQ6
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6ILO
| Cryo-EM structure of empty Echovirus 6 particle at PH 7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6OQ8
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8BRD
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8BRI
| VaPomAB MSP1D1 nanodisc | Descriptor: | Chemotaxis protein PomA, Flagellar motor protein | Authors: | Hu, H, Taylor, N.M.I. | Deposit date: | 2022-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Ion selectivity and rotor coupling of the Vibrio flagellar sodium-driven stator unit. Nat Commun, 14, 2023
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3V5Q
| Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models | Descriptor: | 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea, CHLORIDE ION, NT-3 growth factor receptor | Authors: | Kreusch, A. | Deposit date: | 2011-12-16 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2001 Å) | Cite: | Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models. ACS Med Chem Lett, 3, 2012
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6ILK
| Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-18 | Release date: | 2019-05-15 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6ILJ
| Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-18 | Release date: | 2019-05-15 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6ILP
| Cryo-EM structure of full Echovirus 6 particle at PH 7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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3SIE
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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4G2W
| Crystal structure of PDE5A in complex with its inhibitor | Descriptor: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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4G2Y
| Crystal structure of PDE5A complexed with its inhibitor | Descriptor: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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5DDT
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5HS2
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4HVB
| Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064 | Descriptor: | 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Knighton, D.R, Cheng, H. | Deposit date: | 2012-11-05 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design. ACS Med Chem Lett, 4, 2013
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4IA0
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
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