UniProt O35904
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (O35904)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (UniProt O35904), EC 2.7.1.137, 2.7.1.153: 76 experimental structures and 1 predicted model on GenesisL1, 42 ligands bound, 295 pockets. Binding…
- UniProt
- O35904
- Protein
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
- EC
- 2.7.1.137, 2.7.1.153
- Experimental structures
- 76
- Predicted models
- 1
- Ligands
- 42
- Pockets
- 295 · 26 records with a druggable one
Structures
77 records of O35904 in the MolNFT archive: 76 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4AJW | Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective PI3KBeta… | x-ray diffraction | A, B | — | — |
| 4AJW | Discovery and optimization of new benzimidazole- and benzoxazole- pyrimidone selective PI3KBETA… | x-ray diffraction | A, B | — | — |
| 4V0I | Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors… | x-ray diffraction | A, B | — | — |
| 4V0I | Water network determines selectivity for a series of pyrimidone indoline amide PI3KBETA inhibitors… | x-ray diffraction | A, B | — | — |
| 4XE0 | Idelalisib bound to the p110 subunit of PI3K delta | x-ray diffraction | A | — | — |
| 4XE0 | Idelalisib bound to the P110 subunit of PI3K delta | x-ray diffraction | A | — | — |
| 5AE8 | Crystal structure of mouse PI3 kinase delta in complex with GSK2269557 | x-ray diffraction | A | — | — |
| 5AE8 | Crystal structure of mouse PI3 kinase delta in complex with GSK2269557 | x-ray diffraction | A | — | — |
| 5AE9 | Crystal structure of mouse PI3 kinase delta in complex with GSK2292767 | x-ray diffraction | A | OKO | 10 (best 0.83) |
| 5AE9 | Crystal structure of mouse PI3 kinase delta in complex with GSK2292767 | x-ray diffraction | A | — | — |
| 5I4U | The crystal structure of PI3Kdelta with compound 34 | x-ray diffraction | A | 67T | — |
| 5I4U | The crystal structure of PI3KDELTA with compound 34 | x-ray diffraction | A | — | — |
| 5I6U | The crystal structure of PI3Kdelta with compound 32 | x-ray diffraction | A | 68R | 11 (best 0.81) |
| 5I6U | The crystal structure of PI3KDELTA with compound 32 | x-ray diffraction | A | — | — |
| 5L72 | PI3 kinase delta in complex with N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-ben… | x-ray diffraction | A | 6PF | 12 (best 0.81) |
| 5L72 | PI3 kinase delta in complex with N-[6-(5-methanesulfonamido-6… | x-ray diffraction | A | 6PF | — |
| 5NCY | mPI3Kd IN COMPLEX WITH inh1 | x-ray diffraction | A | SO4, 8TK | 10 (best 0.82) |
| 5NCY | MPI3KD in complex with INH1 | x-ray diffraction | A | SO4, 8TK | — |
| 5NCZ | mPI3Kd IN COMPLEX WITH inh1 | x-ray diffraction | A | 8TN | 10 (best 0.81) |
| 5NCZ | MPI3KD in complex with INH1 | x-ray diffraction | A | 8TN | — |
| 5O83 | Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective… | x-ray diffraction | A | 9NQ | — |
| 5O83 | Discovery of CDZ173 (leniolisib), representing a structurally novel class of PI3K delta-selective… | x-ray diffraction | A | 9NQ | — |
| 5T27 | mPI3Kd IN COMPLEX WITH 5d | x-ray diffraction | A | 74F | 8 (best 0.81) |
| 5T27 | MPI3KD in complex with 5D | x-ray diffraction | A | 74F | — |
| 5T28 | MPI3KD in complex with 5K | x-ray diffraction | A | 74Q | — |
| 5T2B | mPI3Kd IN COMPLEX WITH 5e | x-ray diffraction | A | 74O | 11 (best 0.83) |
| 5T2B | MPI3KD in complex with 5E | x-ray diffraction | A | 74O | — |
| 5T2D | MPI3KD in complex with 7J | x-ray diffraction | A | 74L | — |
| 5T2G | mPI3Kd IN COMPLEX WITH 7i | x-ray diffraction | A | 74K | 9 (best 0.81) |
| 5T2G | MPI3KD in complex with 7I | x-ray diffraction | A | 74K | — |
| 5T2I | mPI3Kd IN COMPLEX WITH 7k | x-ray diffraction | A | 74J | 9 (best 0.81) |
| 5T2I | MPI3KD in complex with 7K | x-ray diffraction | A | 74J | — |
| 5T2L | mPI3Kd IN COMPLEX WITH 7l | x-ray diffraction | A | 74H | 10 (best 0.81) |
| 5T2L | MPI3KD in complex with 7L | x-ray diffraction | A | 74H | — |
| 5T2M | mPI3Kd IN COMPLEX WITH 7m | x-ray diffraction | A | 74N | 9 (best 0.81) |
| 5T2M | MPI3KD in complex with 7M | x-ray diffraction | A | 74N | — |
| 5T7F | PI3Kdelta in complex with the inhibitor GS-643624 | x-ray diffraction | A, B | 76C | 18 (best 0.83) |
| 5T7F | PI3KDELTA in complex with the inhibitor gs-643624 | x-ray diffraction | A, B | 76C | — |
| 5T8I | PI3KDELTA in complex with the inhibitor gs-9901 | x-ray diffraction | A | 77C | — |
| 6DGT | Selective PI3K beta inhibitor bound to PI3K delta | x-ray diffraction | A | GFJ | — |
| 6EZ6 | PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-i… | x-ray diffraction | A | C5Z | 11 (best 0.82) |
| 6EZ6 | PI3 kinase delta in complex with methyl 5-(4-(5-((4… | x-ray diffraction | A | C5Z | — |
| 6FTN | mPI3Kd IN COMPLEX WITH AZ2 | x-ray diffraction | A | E78 | — |
| 6FTN | MPI3KD in complex with AZ2 | x-ray diffraction | A | E78 | — |
| 6GY0 | mPI3Kd IN COMPLEX WITH AZ3 | x-ray diffraction | A | FGE | — |
| 6GY0 | MPI3KD in complex with AZ3 | x-ray diffraction | A | FGE | — |
| 6HI1 | PI3 kinase delta in complex with 3[6(MORPHOLIN4YL)PYRIDIN2YL]PHENOL | x-ray diffraction | A | G5T | — |
| 6HI2 | PI3 kinase delta in complex with 3{6[(1S,6R) 3OXABICYCLO[4.1.0]HEPTAN6YL]PYRIDIN2YL}PHENOL | x-ray diffraction | A | G62 | — |
| 6Q6Y | PI3K delta in complex with N(2CHLORO5PHENYLPYRIDIN3YL) benzenesulfonamide | x-ray diffraction | A | HKQ | — |
| 6Q73 | PI3K delta in complex with N[2chloro5(3,6dihydro2Hpyran4yl)pyridin3yl]methanesulfonamide | x-ray diffraction | A | HKK | 12 (best 0.81) |
| 6Q73 | PI3K delta in complex with N[2CHLORO5(3,6DIHYDRO2HPYRAN4YL) PYRIDIN3YL]METHANESULFONAMIDE | x-ray diffraction | A | HKK | — |
| 6Q74 | PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sul… | x-ray diffraction | A | HKN | — |
| 6Q74 | PI3K delta in complex with 1BENZYLN[5(3,6DIHYDRO2HPYRAN4YL)… | x-ray diffraction | A | HKN | — |
| 6TNR | PI3K delta in complex with N[5(7{2[4(2hydroxypropan2yl)piperidin1… | x-ray diffraction | A | NQ2 | 13 (best 0.81) |
| 6TNR | PI3K delta in complex with N[5(7{2[4(2HYDROXYPROPAN2YL)PIPERIDIN1… | x-ray diffraction | A | NQ2 | — |
| 6TNS | PI3K delta in complex with 2METHOXYN[2METHOXY5(7{[(2R)4(OXETAN3 yl)… | x-ray diffraction | A | NQ5 | — |
| 6ZAA | PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazineca… | x-ray diffraction | A | QD2 | 13 (best 0.81) |
| 6ZAA | PI3K delta in complex with METHOXY(METHYLSULFAMOYL)… | x-ray diffraction | A | QD2 | — |
| 6ZAC | PI3K delta in complex with [(dimethylamino) METHYLDIHYDROBENZOXAZIN2METHOXYPYRIDINYL]METHANESULFONAM… | x-ray diffraction | A | QDE | — |
| 6ZAD | PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione | x-ray diffraction | A | QDW | 13 (best 0.81) |
17 records more on the page itself.
Ligands
- 6PF · N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide · in 2 records
- 74F · 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine · in 2 records
- 74H · 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide · in 2 records
- 74J · 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide · in 2 records
- 74K · 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide · in 2 records
- 74N · 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide · in 2 records
- 74O · 5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{H}-pyrazol-4-yl)pyrazin-2-amine · in 2 records
- 76C · 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile · in 2 records
- 7VT · 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide · in 2 records
- 7XH · ~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl) methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide · in 2 records
- 7XN · 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide · in 2 records
- 7XW · N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide · in 2 records
- 8TK · 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl) ethyl]amino]pyrimidine-5-carbonitrile · in 2 records
- 8TN · 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino) methyl]phenyl]-3-methyl-5-oxidanylidene-[1, 3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile · in 2 records
- 9NQ · Leniolisib · in 2 records
- C5Z · methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate · in 2 records
- E78 · ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide · in 2 records
- FGE · ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide · in 2 records
- H5I · (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one · in 2 records
- HKK · ~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl) pyridin-3-yl]methanesulfonamide · in 2 records
- HKN · ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide · in 2 records
- NA · Sodium ion · in 2 records
- NQ2 · ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl) piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide · in 2 records
- QD2 · 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide · in 2 records
- QDW · Methoxymethyloxathiatetraazatetracyclodocosahexaenedion E · in 2 records
- SD5 · 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine · in 2 records
- SO4 · Sulfate ion · in 2 records
- 67T · 2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile · in 1 record
- 68R · 2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one · in 1 record
- 74L · 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{N},~{N}-dimethyl-pyrazole-1-sulfonamide · in 1 record
Experiment against prediction
- 5O83 chain A against the predicted model O35904: TM-score 0.99, RMSD 1.00 Å
- 5O83 chain A against the predicted model O35904: TM-score 0.99, RMSD 1.00 Å
- 6DGT chain A against the predicted model O35904: TM-score 0.99, RMSD 1.05 Å
- 7R26 chain A against the predicted model O35904: TM-score 0.99, RMSD 1.14 Å
- 7R26 chain A against the predicted model O35904: TM-score 0.99, RMSD 1.14 Å
- 7R2B chain A against the predicted model O35904: TM-score 0.99, RMSD 1.17 Å
- 7R2B chain A against the predicted model O35904: TM-score 0.99, RMSD 1.17 Å
- 5T27 chain A against the predicted model O35904: TM-score 0.99, RMSD 1.22 Å
- 5T27 chain A against the predicted model O35904: TM-score 0.99, RMSD 1.22 Å
- 4AJW chain A against the predicted model O35904: TM-score 0.99, RMSD 1.17 Å
Elsewhere
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