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
|
|
9GCF
 | | HUMAN PI3KDELTA IN COMPLEX WITH ISOCUMARIN INHIBITOR CHF-6523 | | Descriptor: | 3-[(1S)-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]isochromen-1-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: | 2024-08-01 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Discovery of CHF-6523, an Inhaled Selective PI3K delta Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 2024
|
|
9GDI
 | | HUMAN PI3KDELTA IN COMPLEX WITH ISOCUMARIN INHIBITOR 10 | | Descriptor: | 3-[(1S)-1-[4-azanyl-3-(3-fluoranyl-5-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | | Deposit date: | 2024-08-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Discovery of CHF-6523, an Inhaled Selective PI3K delta Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 2024
|
|
9GG9
 | | HUMAN PI3KGAMMA IN COMPLEX WITH ISOCUMARIN INHIBITOR 11 | | Descriptor: | 3-[(1~{S})-1-[4-azanyl-3-(3-fluoranyl-5-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-isochromen-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | | Deposit date: | 2024-08-13 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of CHF-6523, an Inhaled Selective PI3K delta Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 2024
|
|
5M3C
 | | Structure of the hybrid domain (GGDEF-EAL) of PA0575 from Pseudomonas aeruginosa PAO1 at 2.8 Ang. with GTP and Ca2+ bound to the active site of the GGDEF domain | | Descriptor: | CALCIUM ION, Diguanylate cyclase, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Giardina, G, Brunotti, P, Cutruzzola, F, Rinaldo, S. | | Deposit date: | 2016-10-14 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insights into the GTP-dependent allosteric control of c-di-GMP hydrolysis from the crystal structure of PA0575 protein from Pseudomonas aeruginosa.
FEBS J., 285, 2018
|
|
4PVF
 | | Crystal structure of Homo sapiens holo serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), isoform 3, transcript variant 5, 483 aa, at 2.6 ang. resolution | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine hydroxymethyltransferase, ... | | Authors: | Giardina, G, Brunotti, P, Fiascarelli, A, Contestabile, R, Cutruzzola, F. | | Deposit date: | 2014-03-17 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state.
Febs J., 282, 2015
|
|
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
|
|
4R8Z
 | | Crystal Structure of PA4781 HD-GYP domain from Pseudomonas aeruginosa at 2.2A resolution showing a bi-metallic Ni ion center | | Descriptor: | CHLORIDE ION, Cyclic di-GMP phosphodiesterase, NICKEL (II) ION | | Authors: | Giardina, G, Cutruzzolaa, F, Rinaldo, S, Stelitano, V. | | Deposit date: | 2014-09-03 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of functional diversification of the HD-GYP domain revealed by the Pseudomonas aeruginosa PA4781 protein, which displays an unselective bimetallic binding site.
J.Bacteriol., 197, 2015
|
|
7A7E
 | | Structure of a delta-N mutant - E232start - of PA1120 (TpbB or YfiN) from Pseudomonas aeruginosa (PAO1) comprising only the GGDEF domain | | Descriptor: | Diguanylate cyclase TpbB, MAGNESIUM ION | | Authors: | Giardina, G, Rinaldo, S, Mantoni, F, Brunotti, P. | | Deposit date: | 2020-08-28 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Studying GGDEF Domain in the Act: Minimize Conformational Frustration to Prevent Artefacts.
Life, 11, 2021
|
|
