UniProt P04818
Thymidylate synthase (P04818)
Thymidylate synthase (UniProt P04818), EC 2.1.1.45: 105 experimental structures on GenesisL1, 15 ligands bound, 42 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- P04818
- Protein
- Thymidylate synthase
- EC
- 2.1.1.45
- Experimental structures
- 105
- Predicted models
- 0
- Ligands
- 15
- Pockets
- 42 · 3 records with a druggable one
Structures
105 records of P04818 in the MolNFT archive: 105 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1HVY | Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the… | x-ray diffraction | A, B, C, D | — | — |
| 1HVY | Human thymidylate synthase complexed with dump and raltitrexed, an antifolate drug, is in the… | x-ray diffraction | A, B, C, D | — | — |
| 1HW3 | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive… | x-ray diffraction | A | — | — |
| 1HW3 | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive… | x-ray diffraction | A | — | — |
| 1HW4 | Structure of thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors | x-ray diffraction | A | — | — |
| 1HW4 | Structure of thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors | x-ray diffraction | A | — | — |
| 1HZW | Crystal structure of human thymidylate synthase | x-ray diffraction | A, B | — | — |
| 1HZW | Crystal structure of human thymidylate synthase | x-ray diffraction | A, B | — | — |
| 1I00 | Crystal structure of human thymidylate synthase, ternary complex with dump and tomudex | x-ray diffraction | A, B | — | — |
| 1I00 | Crystal structure of human thymidylate synthase, ternary complex with dump and tomudex | x-ray diffraction | A, B | — | — |
| 1JU6 | Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based… | x-ray diffraction | A, B, C, D | — | — |
| 1JU6 | Human thymidylate synthase complex with dump and LY231514, a PYRROLO(2,3-D)PYRIMIDINE-based… | x-ray diffraction | A, B, C, D | — | — |
| 1JUJ | Human Thymidylate Synthase Bound to dUMP and LY231514, a Pyrrolo(2,3-d)pyrimidine-based Antifolate | x-ray diffraction | A, B, C, D | — | — |
| 1JUJ | Human thymidylate synthase bound to dump and LY231514, a PYRROLO(2,3- D)PYRIMIDINE-based antifolate | x-ray diffraction | A, B, C, D | — | — |
| 1YPV | Structure of human thymidylate synthase at low salt conditions | x-ray diffraction | A | — | — |
| 1YPV | Structure of human thymidylate synthase at low salt conditions | x-ray diffraction | A | — | — |
| 2RD8 | Human Thymidylate Synthase Stabilized in Active Conformation by R163K Mutation: Asymmetry and… | x-ray diffraction | A, B | — | — |
| 2RD8 | Human thymidylate synthase stabilized in active conformation by R163K mutation: asymmetry and… | x-ray diffraction | A, B | — | — |
| 2RDA | Human Thymidylate Synthase Stabilized in Active Conformation by R163K Mutation: Asymmetry and… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 2RDA | Human thymidylate synthase stabilized in active conformation by R163K mutation: asymmetry and… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3EAW | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular… | x-ray diffraction | X | — | — |
| 3EAW | Replacement of VAL3 in human thymidylate synthase affects its kinetic properties and intracellular… | x-ray diffraction | X | — | — |
| 3EBU | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular… | x-ray diffraction | A | — | — |
| 3EBU | Replacement of VAL3 in human thymidylate synthase affects its kinetic properties and intracellular… | x-ray diffraction | A | — | — |
| 3ED7 | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular… | x-ray diffraction | A | — | — |
| 3ED7 | Replacement of VAL3 in human thymidylate synthase affects its kinetic properties and intracellular… | x-ray diffraction | A | — | — |
| 3EDW | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular… | x-ray diffraction | X | — | — |
| 3EDW | Replacement of VAL3 in human thymidylate synthase affects its kinetic properties and intracellular… | x-ray diffraction | X | — | — |
| 3EF9 | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular… | x-ray diffraction | A | — | — |
| 3EF9 | Replacement of VAL3 in human thymidylate synthase affects its kinetic properties and intracellular… | x-ray diffraction | A | — | — |
| 3EGY | Crystal Structure of Human Thymidyalte Synthase A191K with Loop 181-197 stabilized in the inactive… | x-ray diffraction | X | — | — |
| 3EGY | Crystal structure of human thymidyalte synthase A191K with loop 181- 197 stabilized in the inactive… | x-ray diffraction | X | — | — |
| 3EHI | Crystal Structure of Human Thymidyalte Synthase M190K with Loop 181-197 stabilized in the inactive… | x-ray diffraction | X | — | — |
| 3EHI | Crystal structure of human thymidyalte synthase M190K with loop 181- 197 stabilized in the inactive… | x-ray diffraction | X | — | — |
| 3EJL | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular… | x-ray diffraction | A, B, C, D | — | — |
| 3EJL | Replacement of VAL3 in human thymidylate synthase affects its kinetic properties and intracellular… | x-ray diffraction | A, B, C, D | — | — |
| 3GG5 | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular… | x-ray diffraction | A, B, C, D | — | — |
| 3GG5 | Replacement of VAL3 in human thymidylate synthase affects its kinetic properties and intracellular… | x-ray diffraction | A, B, C, D | — | — |
| 3GH0 | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular… | x-ray diffraction | A | — | — |
| 3GH0 | Replacement of VAL3 in human thymidylate synthase affects its kinetic properties and intracellular… | x-ray diffraction | A | — | — |
| 3GH2 | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular… | x-ray diffraction | X | — | — |
| 3GH2 | Replacement of VAL3 in human thymidylate synthase affects its kinetic properties and intracellular… | x-ray diffraction | X | — | — |
| 3H9K | Structures of Thymidylate Synthase R163K with Substrates and Inhibitors Show Subunit Asymmetry | x-ray diffraction | A, B, C, D, E | — | — |
| 3H9K | Structures of thymidylate synthase R163K with substrates and inhibitors show subunit asymmetry | x-ray diffraction | A, B, C, D, E | — | — |
| 3HB8 | Structures of Thymidylate Synthase R163K with Substrates and Inhibitors Show Subunit Asymmetry | x-ray diffraction | A, B, C, D, E | — | — |
| 3HB8 | Structures of thymidylate synthase R163K with substrates and inhibitors show subunit asymmetry | x-ray diffraction | A, B, C, D, E | — | — |
| 3N5E | Crystal Structure of human thymidylate synthase bound to a peptide inhibitor | x-ray diffraction | A, B | — | — |
| 3N5E | Crystal structure of human thymidylate synthase bound to a peptide inhibitor | x-ray diffraction | A, B | — | — |
| 3N5G | Crystal Structure of histidine-tagged human thymidylate synthase | x-ray diffraction | A | — | — |
| 3N5G | Crystal structure of histidine-tagged human thymidylate synthase | x-ray diffraction | A | — | — |
| 3OB7 | Human Thymidylate Synthase R163K with Cys 195 covalently modified by Glutathione | x-ray diffraction | A, B, C, D, E | — | — |
| 3OB7 | Human thymidylate synthase R163K with cys 195 covalently modified by glutathione | x-ray diffraction | A, B, C, D, E | — | — |
| 4E28 | Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor | x-ray diffraction | A | — | — |
| 4E28 | Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor | x-ray diffraction | A | — | — |
| 4FGT | Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation… | x-ray diffraction | A | — | — |
| 4FGT | Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation… | x-ray diffraction | A | — | — |
| 4G2O | Human Thymidylate Synthase M190K with bound Purpurogallin | x-ray diffraction | X | — | — |
| 4G2O | Human thymidylate synthase M190K with bound purpurogallin | x-ray diffraction | X | — | — |
| 4G6W | Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol | x-ray diffraction | X | — | — |
| 4G6W | Human thymidylate synthase M190K with bound 4-bromobenzene-1,2,3-triol | x-ray diffraction | X | — | — |
45 records more on the page itself.
Ligands
- UMP · 2'-deoxyuridine 5'-monophosphate · in 16 records
- SO4 · Sulfate ion · in 7 records
- CL · Chloride ion · in 3 records
- 2XB · N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid · in 2 records
- 7ZC · 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine · in 2 records
- OEJ · 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino) benzene-1,4-dicarboxylic acid · in 2 records
- PO4 · Phosphate ion · in 2 records
- UFP · 5-fluoro-2'-deoxyuridine-5'-monophosphate · in 2 records
- 7Z9 · 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one · in 1 record
- D96 · N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid · in 1 record
- DC · 2'-deoxycytidine-5'-monophosphate · in 1 record
- DCM · 2'-deoxycytidine-5'-monophosphate · in 1 record
- OE7 · 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid · in 1 record
- OED · [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid · in 1 record
- OF7 · [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino) phenyl]acetic acid · in 1 record
Elsewhere
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