UniProt Q8WQX9
Phosphodiesterase (Q8WQX9)
Phosphodiesterase (UniProt Q8WQX9), EC 3.1.4.-: 48 experimental structures on GenesisL1, 25 ligands bound, 59 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q8WQX9
- Protein
- Phosphodiesterase
- EC
- 3.1.4.-
- Experimental structures
- 48
- Predicted models
- 0
- Ligands
- 25
- Pockets
- 59 · 16 records with a druggable one
Structures
48 records of Q8WQX9 in the MolNFT archive: 48 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4I15 | Crystal structure of TbrPDEB1 | x-ray diffraction | A, B | — | — |
| 4I15 | Crystal structure of TBRPDEB1 | x-ray diffraction | A, B | — | — |
| 4PHL | TbrPDEB1-inhibitor complex | x-ray diffraction | A, B | — | — |
| 4PHL | TBRPDEB1-inhibitor complex | x-ray diffraction | A, B | — | — |
| 5G2B | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008 | x-ray diffraction | A, B | ZN, MG, LQY, GAI | 4 (best 0.73) |
| 5G2B | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-008 | x-ray diffraction | A, B | — | — |
| 5G57 | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-001 | x-ray diffraction | A, B | ZN, MG, GAI, 6M5 | 4 (best 0.73) |
| 5G57 | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-001 | x-ray diffraction | A, B | — | — |
| 5G5V | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038 | x-ray diffraction | A, B | ZN, MG, GAI, 8Z4 | 5 (best 0.75) |
| 5G5V | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-038 | x-ray diffraction | A, B | — | — |
| 5L8C | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039 | x-ray diffraction | A, B | ZN, MG, GAI, 908 | 4 (best 0.73) |
| 5L8C | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-039 | x-ray diffraction | A, B | ZN, MG, GAI, 908 | — |
| 5L8Y | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937 | x-ray diffraction | A, B | ZN, MG, GAI, CVA | — |
| 5L8Y | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-937 | x-ray diffraction | A, B | ZN, MG, GAI, CVA | — |
| 5L9H | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340 | x-ray diffraction | A, B | ZN, MG, CVL | — |
| 5L9H | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-340 | x-ray diffraction | A, B | ZN, MG, CVL | — |
| 6FDS | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-226 | x-ray diffraction | A, B | GAI, D5T, ZN, MG | 3 (best 0.73) |
| 6FDS | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-226 | x-ray diffraction | A, B | GAI, D5T, ZN, MG | — |
| 6FDW | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-356 | x-ray diffraction | A, B | D62, ZN, MG, GAI | 4 (best 0.73) |
| 6FDW | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-356 | x-ray diffraction | A, B | D62, ZN, MG, GAI | — |
| 6FDX | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1086 | x-ray diffraction | A, B | ZN, MG, D5Z, GAI | — |
| 6FDX | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-1086 | x-ray diffraction | A, B | ZN, MG, D5Z, GAI | — |
| 6FE3 | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1439 | x-ray diffraction | A, B | GAI, D68, ZN, MG | 4 (best 0.73) |
| 6FE3 | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-1439 | x-ray diffraction | A, B | GAI, D68, ZN, MG | — |
| 6FRD | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-637 | x-ray diffraction | A, B | ZN, MG, GAI, E3Q | 4 (best 0.74) |
| 6FRD | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-637 | x-ray diffraction | A, B | ZN, MG, GAI, E3Q | — |
| 6FTM | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048 | x-ray diffraction | A, B | MG, ZN, GAI, E6Z | — |
| 6FTM | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-048 | x-ray diffraction | A, B | MG, ZN, GAI, E6Z | — |
| 6FV9 | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-007 | x-ray diffraction | A, B | MG, ZN, E8H | — |
| 6FV9 | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-007 | x-ray diffraction | A, B | MG, ZN, E8H | — |
| 6GXQ | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335 | x-ray diffraction | A, B | MG, ZN, GAI, FFZ | — |
| 6GXQ | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-1335 | x-ray diffraction | A, B | MG, ZN, GAI, FFZ | — |
| 6QGP | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769 | x-ray diffraction | A, B | ZN, MG, GAI, J2E | 3 (best 0.73) |
| 6QGP | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-0769 | x-ray diffraction | A, B | ZN, MG, GAI, J2E | — |
| 6QGU | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361 | x-ray diffraction | A, B | ZN, MG, GAI, 863 | 4 (best 0.74) |
| 6QGU | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-1361 | x-ray diffraction | A, B | ZN, MG, GAI, 863 | — |
| 6RB6 | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-053 | x-ray diffraction | A, B | MG, ZN, GAI, JX2 | 4 (best 0.77) |
| 6RB6 | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-053 | x-ray diffraction | A, B | MG, ZN, GAI, JX2 | — |
| 6RFN | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1018 | x-ray diffraction | A, B | ZN, MG, GAI, K3W | 2 (best 0.74) |
| 6RFN | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-1018 | x-ray diffraction | A, B | ZN, MG, GAI, K3W | — |
| 6RFW | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1039 | x-ray diffraction | A, B | ZN, MG, GAI, K1Q | 3 (best 0.72) |
| 6RFW | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-1039 | x-ray diffraction | A, B | ZN, MG, GAI, K1Q | — |
| 6RGK | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-055 | x-ray diffraction | A, B | ZN, MG, GAI, K3N | 3 (best 0.73) |
| 6RGK | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-055 | x-ray diffraction | A, B | ZN, MG, GAI, K3N | — |
| 7A28 | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617 | x-ray diffraction | A, B | QWT, ZN, MG, GAI | 3 (best 0.74) |
| 7A28 | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-617 | x-ray diffraction | A, B | QWT, ZN, MG, GAI | — |
| 7A2F | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656 | x-ray diffraction | A, B | ZN, MG, GAI, QWZ | 5 (best 0.72) |
| 7A2F | Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-656 | x-ray diffraction | A, B | ZN, MG, GAI, QWZ | — |
Ligands
- MG · Magnesium ion · in 41 records
- ZN · Zinc ion · in 41 records
- GAI · Guanidine · in 37 records
- 863 · 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one · in 2 records
- 908 · 4-[5-[(4~{A}~{R},8~{A}~{S})-4-oxidanylidene-3-propan-2-yl-4~{A},5,8,8~{A}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl) benzamide · in 2 records
- CVA · 2-[(4-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4A,5,8,8A-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl) formamido]-N-(2-hydroxyethyl)acetamide · in 2 records
- CVL · 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl) phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one · in 2 records
- D5T · 1-[2-[4-[(4~{A}~{S},8~{A}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{A},5,8,8~{A}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione · in 2 records
- D5Z · (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one · in 2 records
- D62 · (4as,8ar)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4A,5, 8,8A-hexahydrophthalazin-1-one · in 2 records
- D68 · 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione · in 2 records
- E3Q · 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl) methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1H-pyrazol-5-one · in 2 records
- E6Z · 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide · in 2 records
- E8H · 1-(2-{4-[(4as,8ar)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2, 4A,5,8,8A-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione · in 2 records
- FFZ · 3-[5-[(4ar,8as)-4-oxidanylidene-3-propan-2-yl-4A,5,8, 8A-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-N-(phenylmethyl)prop-2-ynamide · in 2 records
- J2E · 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4, 4-dimethyl-4,5-dihydro-1H-pyrazol-5-one · in 2 records
- JX2 · 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide · in 2 records
- K1Q · 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide · in 2 records
- K3N · 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide · in 2 records
- K3W · 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide · in 2 records
- QWT · 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one · in 2 records
- QWZ · 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl) ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one · in 2 records
- 6M5 · (4~{A}~{S},8~{A}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl) phenoxy]butoxy]phenyl]-4~{A},5,8,8~{A}-tetrahydrophthalazin-1-one · in 1 record
- 8Z4 · (4as,8ar)-4-(3-{4-[(3R)-3-hydroxypyrrolidine-1- · in 1 record
- LQY · N-(2-amino-2-oxoethyl)-5'-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide · in 1 record
Elsewhere
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