UniProt P36639
7,8-dihydro-8-oxoguanine triphosphatase (P36639)
7,8-dihydro-8-oxoguanine triphosphatase (UniProt P36639), EC 3.6.1.55, 3.6.1.56: 196 experimental structures and 1 predicted model on GenesisL1, 59 ligands bound, 150 pockets. Binding sites, druggability and experiment against…
- UniProt
- P36639
- Protein
- 7,8-dihydro-8-oxoguanine triphosphatase
- EC
- 3.6.1.55, 3.6.1.56
- Experimental structures
- 196
- Predicted models
- 1
- Ligands
- 59
- Pockets
- 150 · 59 records with a druggable one
Structures
197 records of P36639 in the MolNFT archive: 196 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1IRY | Solution structure of the hMTH1, a nucleotide pool sanitization enzyme | solution nmr | A | — | — |
| 1IRY | Solution structure of the HMTH1, a nucleotide pool sanitization enzyme | solution nmr | A | — | — |
| 3Q93 | Crystal Structure of Human 8-oxo-dGTPase (MTH1) | x-ray diffraction | A, B | — | — |
| 3Q93 | Crystal structure of human 8-oxo-dgtpase (MTH1) | x-ray diffraction | A, B | — | — |
| 3WHW | MTH1 in complex with Ruthenium-based inhibitor | x-ray diffraction | A, B | — | — |
| 3WHW | MTH1 in complex with ruthenium-based inhibitor | x-ray diffraction | A, B | — | — |
| 3ZR0 | Crystal structure of human MTH1 in complex with 8-oxo-dGMP | x-ray diffraction | A, B | — | — |
| 3ZR0 | Crystal structure of human MTH1 in complex with 8-oxo-dgmp | x-ray diffraction | A, B | — | — |
| 3ZR1 | Crystal structure of human MTH1 | x-ray diffraction | A, B | — | — |
| 3ZR1 | Crystal structure of human MTH1 | x-ray diffraction | A, B | — | — |
| 4C9W | Crystal structure of NUDT1 (MTH1) with R-crizotinib | x-ray diffraction | A | — | — |
| 4C9W | Crystal structure of NUDT1 (MTH1) with R-crizotinib | x-ray diffraction | A | — | — |
| 4C9X | Crystal structure of NUDT1 (MTH1) with S-crizotinib | x-ray diffraction | A | — | — |
| 4C9X | Crystal structure of NUDT1 (MTH1) with S-crizotinib | x-ray diffraction | A | — | — |
| 4N1T | Structure of human MTH1 in complex with TH287 | x-ray diffraction | A | — | — |
| 4N1T | Structure of human MTH1 in complex with TH287 | x-ray diffraction | A | — | — |
| 4N1U | Structure of human MTH1 in complex with TH588 | x-ray diffraction | A, B | — | — |
| 4N1U | Structure of human MTH1 in complex with TH588 | x-ray diffraction | A, B | — | — |
| 5ANS | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | x-ray diffraction | A | RX8 | 2 (best 0.64) |
| 5ANS | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | x-ray diffraction | A | — | — |
| 5ANT | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | x-ray diffraction | A, B, C | — | — |
| 5ANT | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | x-ray diffraction | A, B, C | — | — |
| 5ANU | MTH1 in complex with compound 15 | x-ray diffraction | A | — | — |
| 5ANU | MTH1 in complex with compound 15 | x-ray diffraction | A | — | — |
| 5ANV | MTH1 in complex with compound 15 | x-ray diffraction | A | — | — |
| 5ANV | MTH1 in complex with compound 15 | x-ray diffraction | A | — | — |
| 5ANW | MTH1 in complex with compound 24 | x-ray diffraction | A | — | — |
| 5ANW | MTH1 in complex with compound 24 | x-ray diffraction | A | — | — |
| 5FSI | MTH1 substrate recognition: Complex with 8-oxo-dGTP. | x-ray diffraction | A | 8DG | — |
| 5FSI | MTH1 substrate recognition: complex with 8-oxo-dgtp. | x-ray diffraction | A | — | — |
| 5FSK | MTH1 substrate recognition: Complex with 8-oxo-dGTP. | x-ray diffraction | A | H6Y | 1 (best 0.66) |
| 5FSK | MTH1 substrate recognition: complex with 8-oxo-dgtp. | x-ray diffraction | A | — | — |
| 5FSL | MTH1 substrate recognition: Complex with a methylaminopuri | x-ray diffraction | A | UAN, SO4 | 1 (best 0.67) |
| 5FSL | MTH1 substrate recognition: complex with a methylaminopurinone | x-ray diffraction | A | — | — |
| 5FSM | MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide. | x-ray diffraction | A | N91 | — |
| 5FSM | MTH1 substrate recognition: complex with a methylbenzimidazolyl acetamide. | x-ray diffraction | A | — | — |
| 5FSN | MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol. | x-ray diffraction | A | 6Q3 | 1 (best 0.73) |
| 5FSN | MTH1 substrate recognition: complex with a aminomethylpyrimidinyl oxypropanol. | x-ray diffraction | A | — | — |
| 5FSO | MTH1 substrate recognition: Complex with a methylaminopyrimidinedione. | x-ray diffraction | A | S76 | — |
| 5FSO | MTH1 substrate recognition: complex with a methylaminopyrimidinedione. | x-ray diffraction | A | — | — |
| 5GHI | Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGTP | x-ray diffraction | A, B | 8DG, NA | — |
| 5GHI | Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dgtp | x-ray diffraction | A, B | — | — |
| 5GHJ | Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP | x-ray diffraction | A, B | 6U4, NA | 3 (best 0.79) |
| 5GHJ | Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-datp | x-ray diffraction | A, B | — | — |
| 5GHM | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 8-oxo-dGTP at pH 7.0 | x-ray diffraction | A, B | 8DG, NA | 4 (best 0.77) |
| 5GHM | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 8- oxo-dgtp at pH 7.0 | x-ray diffraction | A, B | — | — |
| 5GHN | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2-oxo-dATP | x-ray diffraction | A, B | 6U4, NA | 3 (best 0.79) |
| 5GHN | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2- oxo-datp | x-ray diffraction | A, B | — | — |
| 5GHO | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 8-oxo-dGTP | x-ray diffraction | A, B | NA, 8DG | — |
| 5GHO | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 8- oxo-dgtp | x-ray diffraction | A, B | — | — |
| 5GHP | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 2-oxo-dATP | x-ray diffraction | A, B | NA | 3 (best 0.79) |
| 5GHP | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 2- oxo-datp | x-ray diffraction | A, B | — | — |
| 5GHQ | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 2-oxo-dATP under high… | x-ray diffraction | A, B | 6U4, NA | 3 (best 0.79) |
| 5GHQ | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 2- oxo-datp under high… | x-ray diffraction | A, B | — | — |
| 5NGR | Crystal structure of human MTH1 in complex with fragment inhibitor… | x-ray diffraction | A, B | 8WT, SO4 | — |
| 5NGR | Crystal structure of human MTH1 in complex with fragment inhibitor 8… | x-ray diffraction | A, B | 8WT, SO4 | — |
| 5NGS | Crystal structure of human MTH1 in complex with inhibitor… | x-ray diffraction | A, B | 8WW, SO4 | 5 (best 0.71) |
| 5NGS | Crystal structure of human MTH1 in complex with inhibitor 6-[(2… | x-ray diffraction | A, B | 8WW, SO4 | — |
| 5NGT | Crystal structure of human MTH1 in complex with inhibitor… | x-ray diffraction | A | 8WZ, SO4 | 2 (best 0.73) |
| 5NGT | Crystal structure of human MTH1 in complex with inhibitor 7-(furan-2… | x-ray diffraction | A | 8WZ, SO4 | — |
137 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 78 records
- NA · Sodium ion · in 22 records
- BU8 · 1~{H}-imidazo[4,5-b]pyridin-2-amine · in 16 records
- F3E · 4-phenylpyrimidin-2-amine · in 14 records
- 6U4 · [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate · in 11 records
- 8DG · 8-oxo-2'-deoxyguanosine-5'-triphosphate · in 11 records
- ZN · Zinc ion · in 8 records
- 6MA · N6-methyl-deoxy-adenosine-5'-monophosphate · in 2 records
- 6OG · 6-O-methyl guanosine-5'-monophosphate · in 2 records
- 8JF · N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide · in 2 records
- 8WT · 8-methylsulfanyl-7~{H}-purin-6-amine · in 2 records
- 8WW · 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine · in 2 records
- 8WZ · 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine · in 2 records
- 8XT · ~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide · in 2 records
- 95F · 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine · in 2 records
- 95L · 4-amino-6-fluoroquinoline-3-carbohydrazide · in 2 records
- 95R · (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2, 5(1H,3H)-dione · in 2 records
- AX7 · 1H-benzimidazol-2-amine · in 2 records
- BS8 · 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine · in 2 records
- BSW · 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine · in 2 records
- BU5 · [2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol · in 2 records
- C8Z · 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine · in 2 records
- C9B · (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl) morpholine · in 2 records
- C9E · Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate · in 2 records
- C9L · 5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine · in 2 records
- C9Q · 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide · in 2 records
- CEU · N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine · in 2 records
- CG0 · N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl) pyrimidine-2,4-diamine · in 2 records
- CGX · N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine · in 2 records
- CJ0 · N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine · in 2 records
Experiment against prediction
- 6GLJ chain A against the predicted model P36639: TM-score 0.99, RMSD 0.36 Å
- 6GLJ chain A against the predicted model P36639: TM-score 0.99, RMSD 0.36 Å
- 6GLH chain A against the predicted model P36639: TM-score 0.99, RMSD 0.37 Å
- 6GLH chain A against the predicted model P36639: TM-score 0.99, RMSD 0.37 Å
- 8A0S chain A against the predicted model P36639: TM-score 0.99, RMSD 0.37 Å
- 6GLM chain A against the predicted model P36639: TM-score 0.99, RMSD 0.38 Å
- 6GLM chain A against the predicted model P36639: TM-score 0.99, RMSD 0.38 Å
- 6GLE chain A against the predicted model P36639: TM-score 0.99, RMSD 0.38 Å
- 6GLE chain A against the predicted model P36639: TM-score 0.99, RMSD 0.38 Å
- 6GLN chain A against the predicted model P36639: TM-score 0.99, RMSD 0.38 Å
Elsewhere
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