8S3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s3r by Molmil](/molmil-images/mine/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 | 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., 2024
|
|
4PVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pvf by Molmil](/molmil-images/mine/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
|
|
5M3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m3c by Molmil](/molmil-images/mine/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
|
|
8BCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bcy by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r8z by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a7e by Molmil](/molmil-images/mine/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
|
|