9EP8
| Crystal structure of ROCK2 in complex with a 8-(azaindolyl)-benzoazepinone inhibitor | Descriptor: | 1,2-ETHANEDIOL, 8-(azaindolyl)-benzoazepinone, Rho-associated protein kinase 2 | Authors: | Pala, D, Clark, D, Pioselli, B, Accetta, A, Rancati, F. | Deposit date: | 2024-03-18 | Release date: | 2024-09-25 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Design and synthesis of novel 8-(azaindolyl)-benzoazepinones as potent and selective ROCK inhibitors. Rsc Med Chem, 2024
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8BCY
| HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | Descriptor: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | Deposit date: | 2022-10-17 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors. Eur.J.Med.Chem., 254, 2023
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8S3R
| HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 | Descriptor: | 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | Deposit date: | 2024-02-20 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation. J.Med.Chem., 67, 2024
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8PNE
| E.coli YihX Wild Type Apo | Descriptor: | Alpha-D-glucose 1-phosphate phosphatase YihX, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zappala, D, Baumann, P, Jin, Y. | Deposit date: | 2023-06-30 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Apo structure of E.coli YihX Wild Type To Be Published
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2VY3
| Type IV secretion system effector protein BepA | Descriptor: | CELL FILAMENTATION PROTEIN, CHLORIDE ION, NICKEL (II) ION | Authors: | Palanivelu, D.V, Schirmer, T. | Deposit date: | 2008-07-17 | Release date: | 2009-11-17 | Last modified: | 2011-11-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Fic Domain Catalyzed Adenylylation: Insight Provided by the Structural Analysis of the Type Iv Secretion System Effector Bepa. Protein Sci., 20, 2011
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2C32
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2JK8
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8PNO
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