EC 2.1.1.6 - S- adenosyl- L- methionine:catechol O- methyltransferase (catechol O- methyltransferase)

3D structures of EC 2.1.1.6 - catechol O-methyltransferase in Protein Data Bank

updated: 6 January 2022, 2:15

1. 1h1d: Catechol O-methyltransferase
2. 1jr4: Catechol O-methyltransferase Bisubstrate-inhibitor Complex
3. 3hvk: Rat Catechol O-methyltransferase in Complex with a Bisubstrate Inhibitor
4. 3hvj: Rat Catechol O-methyltransferase in Complex with a Bisubstrate Inhibitor
5. 3hvi: Rat Catechol O-methyltransferase in Complex with a Bisubstrate Inhibitor
6. 3hvh: Rat Catechol O-methyltransferase in Complex with a Bisubstrate Inhibitor
7. 1vid: Catechol O-methyltransferase
8. 3bwy: Crystal Structure of Human 108m Catechol O- Methyltransferase Bound with S-adenosylmethionine and Inhibitor Dinitrocatechol
9. 3bwm: Crystal Structure of Human Catechol O-methyltransferase with Bound Sam and Dnc
10. 3a7e: Crystal Structure of Human Comt Complexed with Sam and 3,5- Dinitrocatechol
11. 3a7d: Crystal Structures of Rat Catechol-o-methyltransferase Complexed with New Bi-substrate Type Inhibitor
12. 2zvj: Crystal Structures of Rat Catechol-o-methyltransferase Complexed with Coumarine-based Inhibitor
13. 2zth: Crystal Structure of Holo Form of Rat Catechol-o- Methyltransferase
14. 2zlb: Crystal Structure of Apo Form of Rat Catechol-o- Methyltransferase
15. 2cl5: Catechol-o-methyltransferase in Complex with an Inhibitor
16. 5zy6: Catechol Methyltransferase Spcomt
17. 5zy5: Spcomt Apo Structure
18. 3p9c: Crystal Structure of Perennial Ryegrass Lpomt1 Bound to Sah
19. 3p9i: Crystal Structure of Perennial Ryegrass Lpomt1 Complexed with S- Adenosyl-l-homocysteine and Sinapaldehyde
20. 3p9k: Crystal Structure of Perennial Ryegrass Lpomt1 Complexed with S- Adenosyl-l-homocysteine and Coniferaldehyde
21. 6lfe: Rat-comt, Nitecapone,sam and Mg Bond
22. 3nw9: Rat Comt in Complex with a Methylpurin-containing Bisubstrate Inhibitor
23. 3oe4: Rat Catechol O-methyltransferase in Complex with a Bisubstrate Inhibitor - Humanized Form
24. 3oe5: Rat Catechol O-methyltransferase in Complex with a Bisubstrate Inhibitor - Humanized Form
25. 3ozr: Rat Catechol O-methyltransferase in Complex with a Bisubstrate Inhibitor - Humanized Form
26. 3ozs: Rat Catechol O-methyltransferase in Complex with a Bisubstrate Inhibitor - Humanized Form
27. 3ozt: Rat Catechol O-methyltransferase in Complex with a Bisubstrate Inhibitor - Humanized Form
28. 3nwb: Rat Comt in Complex with a Fluorinated Desoxyribose-containing Bisubstrate Inhibitor Avoids Hydroxyl Group
29. 3nwe: Rat Comt in Complex with a Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group
30. 3r6t: Rat Catechol O-methyltransferase in Complex with The Bisubstrate Inhibitor 4'-fluoro-4,5-dihydroxy-biphenyl-3-carboxylic Acid {(e)-3- [(2s,4r,5r)-4-hydroxy-5-(6-methyl-purin-9-yl)-tetrahydro-furan-2-yl]- Allyl}-amide
31. 3s68: Rat Comt in Complex with Sam and Tolcapone at 1.85a, P3221, Rfree=22.0
32. 3u81: Crystal Structure of a Sah-bound Semi-holo Form of Rat Catechol-o- Methyltransferase
33. 6i3d: Crystal Structure of Human Soluble Catechol O-methyltransferase in Complex with 3,5-dinitrocatechol and Sinefungin
34. 6i3c: Crystal Structure of Human Soluble Catechol O-methyltransferase in Complex with 3,5-dinitrocatechol and S-adensoyl-l-methionine
35. 6gy1: Rat Comt in Complex with Inhibitor
36. 4p58: Crystal Structure of Mouse Comt Bound to an Inhibitor
37. 4p7f: Mouse Apo-comt
38. 4p7g: Rat Apo-comt, Phosphate Bound
39. 4p7j: Rat Apo-comt Sulfate Bound
40. 4p7k: Rat Comt in Complex with Sinefungin
41. 4pyi: Human Apo Comt
42. 4pyj: Human Apo-comt, Single Domain Swap
43. 4pyk: Human Comt, Double Domain Swap
44. 4pyl: Humanized Rat Comt in Complex with Sinefungin, Mg2+, and Tolcapone
45. 4pym: Humanized Rat Apo-comt Bound to Sulphate
46. 4pyn: Humanized Rat Comt in Complex with Sah
47. 4pyo: Humanized Rat Comt Bound to Sah, Semi-holo Form
48. 4pyq: Humanized Rat Apo-comt in Complex with a Ureido-benzamidine
49. 5pa7: Humanized Rat Comt in Complex with 6-bromo-3-chloroquinolin-8-ol
50. 5pa6: Humanized Rat Comt in Complex with 7-(4-fluorophenyl)quinoxalin-5-ol
51. 5pa5: Humanized Rat Comt in Complex with 6-(2,4-dimethyl-1,3-thiazol-5-yl)- 8-hydroxy-3h-quinazolin-4-one
52. 5pa4: Humanized Rat Comt in Complex with 6-(4-fluorophenyl)-8-hydroxy-3h- Quinazolin-4-one
53. 5pa3: Humanized Comt in Complex with 8-hydroxy-6-[2-(methoxymethyl)phenyl]- 3h-quinazolin-4-one
54. 5pa2: Humanized Rat Comt in Complex with 7-fluoro-6-(4-fluorophenyl)-8- Hydroxy-3h-quinazolin-4-one
55. 5pa1: Rat Catechol O-methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)quinolin-8-ol
56. 5pa0: Humanized Rat Comt in Complex with 3-hydroxy-1-methyl-5-phenylpyridin- 2-one
57. 5p9z: Humanized Rat Comt in Complex with 6-(4-fluorophenyl)quinazolin-8-ol
58. 5p9y: Humanized Rat Catechol O-methyltransferase in Complex with 6-(4- Fluorophenyl)-8-hydroxy-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl) Quinazolin-4-one
59. 5p9x: Humanized Rat Catechol O-methyltransferase in Complex with N-[1-[(2r, 3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2- Yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
60. 5p9w: Rat Catechol O-methyltransferase in Complex with 4'-fluoro-4,5- Dihydroxy-n-{[(1r,2r)-2-{(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)-9h- Purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3- Carboxamide
61. 5p9v: Humanized Rat Comt in Complex with 8-hydroxy-6-(2-methylpyridin-3-yl)- 3h-quinazolin-4-one
62. 5p9u: Humanized Rat Catechol O-methyltransferase in Complex with Sah and 6- Bromo-8-hydroxy-3h-quinazolin-4-one
63. 5p9t: Humanized Rat Catechol O-methyltransferase in Complex with 6-(4- Fluorophenyl)-8-hydroxy-3h-quinazolin-4-one
64. 5p9s: Humanized Rat Comt in Complex with 8-hydroxy-6-[3-methyl-5-(4- Methylpiperazine-1-carbonyl)thiophen-2-yl]-3h-quinazolin-4-one
65. 5p9r: Humanized Rat Comt in Complex with 5-chloro-6-(4-fluorophenyl)-8- Hydroxy-3h-quinazolin-4-one
66. 5p9q: Humanized Rat Comt in Complex with 6-(2,4-dimethyl-1,3-thiazol-5-yl)- 8-hydroxy-3h-quinazolin-4-one
67. 5p9p: Humanized Rat Comt in Complex with 5,6-bis(4-fluorophenyl)-8-hydroxy- 3h-quinazolin-4-one
68. 5p9o: Humanized Rat Comt in Complex with 7-fluoro-5,6-bis(4-fluorophenyl)-8- Hydroxy-3h-quinazolin-4-one
69. 5p9n: Humanized Rat Comt in Complex with 5-(4-fluorophenyl)-2,3-dihydroxy-n- [[3-[hydroxy-(1-methylindazol-5-yl)methyl]phenyl]methyl]benzamide at 1.17a
70. 5p9e: Rat Catechol O-methyltransferase in Complex with N-[2-(5-benzyl-1h-1, 2,4-triazol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.50a
71. 5p9d: Rat Catechol O-methyltransferase in Complex with 5-(4-fluorophenyl)-2, 3-dihydroxy-n-(5-imidazol-1-ylpentyl)benzamide at 1.42a
72. 5p9c: Rat Catechol O-methyltransferase in Complex with 5-(4-fluorophenyl)-2, 3-dihydroxy-n-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide at 1.70a
73. 5p9b: Rat Catechol O-methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine- 4-carboxamide at 1.45a
74. 5p9a: Rat Catechol O-methyltransferase in Complex with N-[2-[2-(6- Aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-2,3- Dihydroxybenzamide at 1.91a
75. 5p99: Rat Catechol O-methyltransferase in Complex with N-[2-[2-(3,4- Dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3- Dihydroxybenzamide at 1.20a
76. 5p98: Rat Catechol O-methyltransferase in Complex with 5-(4-fluorophenyl)-2, 3-dihydroxy-n-(2-hydroxyethyl)benzamide at 1.20a
77. 5p97: Rat Catechol O-methyltransferase in Complex with 5-(4-fluorophenyl)-2, 3-dihydroxy-n-[(1-methylimidazol-4-yl)methyl]benzamide at 1.30a
78. 5p96: Rat Catechol O-methyltransferase in Complex with N-[5-(2-aminopurin-9- Yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.40a
79. 5p95: Rat Catechol O-methyltransferase in Complex with N-[5-(6-aminopurin-9- Yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.30a
80. 5p94: Humanized Rat Catechol O-methyltransferase in Complex with 5-(4- Fluorophenyl)-2,3-dihydroxy-n-[[3-[(1h-indazol-5-ylamino) Methyl]phenyl]methyl]benzamide at 1.20a
81. 5p93: Humanized Rat Catechol O-methyltransferase in Complex with Single Conformation of 5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-(3-pyridin-4- Yl-1h-1,2,4-triazol-5-yl)ethyl]benzamide at 1.24a
82. 5p92: Humanized Rat Catechol O-methyltransferase in Complex with 5-(4- Fluorophenyl)-2,3-dihydroxy-n-(4-thieno[2,3-c]pyridin-2-ylbutyl) Benzamide at 1.61a
83. 5p91: Humanized Rat Catechol O-methyltransferase in Complex with 5-(4- Fluorophenyl)-2,3-dihydroxy-n-[2-[5-(2-methylpyridin-4-yl)-4h-1,2,4- Triazol-3-yl]ethyl]benzamide at 1.20a
84. 5p90: Humanized Rat Catechol O-methyltransferase in Complex with 5-(4- Fluorophenyl)-2,3-dihydroxy-n-[(e)-5-pyrrolo[3,2-c]pyridin-1-ylpent- 3-enyl]benzamide at 1.24a
85. 5p8z: Humanized Rat Catechol O-methyltransferase in Complex with 5-(4- Fluorophenyl)-2,3-dihydroxy-n-(4-thieno[3,2-c]pyridin-2-ylbutyl) Benzamide at 1.42a
86. 5p8y: Humanized Rat Catechol O-methyltransferase in Complex with 5-(4- Fluorophenyl)-2,3-dihydroxy-n-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy) Propyl]benzamide at 1.42a
87. 5p8x: Humanized Rat Catechol O-methyltransferase in Complex with N-[2-[5- (1h-benzimidazol-5-yl)-4h-1,2,4-triazol-3-yl]ethyl]-5-(4- Fluorophenyl)-2,3-dihydroxybenzamide at 1.31a
88. 5p8w: Crystal Structure of Comt in Complex with [5-(2,4-dimethyl-1,3- Thiazol-5-yl)-1h-pyrazol-3-yl]methanamine
89. 5lsa: Human Catechol O-methyltransferase in Complex with Sam and Dnc at 1.50a
90. 5lr6: Crystal Structure of Comt in Complex with [3-(2,4-dimethyl-1,3- Thiazol-5-yl)-1h-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
91. 5lqu: Crystal Structure of Comt in Complex with N-[(e)-3-[(2r,3s,4r,5r)-5- [6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5- (4-fluorophenyl)-2,3-dihydroxybenzamide
92. 5lqr: Crystal Structure of Comt in Complex with N-[(e)-3-[(2r,3s,4r,5r)-5- (6-ethylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4- Fluorophenyl)-2,3-dihydroxybenzamide
93. 5lqn: Crystal Structure of Comt in Complex with 2-[(3-chlorophenoxy)methyl]- 4-methyl-5-(1h-pyrazol-5-yl)-1,3-thiazole
94. 5lqk: Crystal Structure of Comt in Complex with N-[(e)-3-[(2r,3s,4r,5r)-5- (6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3- Dihydroxy-5-[(4-methylphenyl)methyl]benzamide
95. 5lqj: Crystal Structure of Comt in Complex with 3-cyclopropyl-5-methyl-4- Phenyl-1,2,4-triazole
96. 5lqc: Crystal Structure of Comt in Complex with N-[(e)-3-[(2r,3s,4r,5r)-3,4- Dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4- Fluorophenyl)-2,3-dihydroxybenzamide
97. 5lqa: Rat Catechol O-methyltransferase at High Ph in Complex with a Bisubstrate Inhibitor
98. 5k0n: Crystal Structure of Comt in Complex with 4-[5-[1-(4-methoxyphenyl) Cyclopropyl]-1h-pyrazol-3-yl]-1,3-dimethylpyrazole
99. 5k0l: Crystal Structure of Comt in Complex with 5-[5-[1-(4-methoxyphenyl) Cyclopropyl]-1h-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
100. 5k0j: Crystal Structure of Comt in Complex with 5-[5-[1-(4-methoxyphenyl) Cyclopropyl]-1h-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
101. 5k0g: Crystal Structure of Comt in Complex with 4-[5-[1-(4-methoxyphenyl) Ethyl]-1h-pyrazol-3-yl]-1,3-dimethylpyrazole
102. 5k0f: Crystal Structure of Comt in Complex with 5-[5-[1-(4-methoxyphenyl) Ethyl]-1h-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
103. 5k0e: Crystal Structure of Comt in Complex with 2,4-dimethyl-5-[3-(2- Phenylpropan-2-yl)-1h-pyrazol-5-yl]-1,3-thiazole
104. 5k0c: Crystal Structure of Comt in Complex with 2,4-dimethyl-5-[3-(2- Phenylpropan-2-yl)-1h-pyrazol-5-yl]-1,3-thiazole
105. 5k0b: Crystal Structure of Comt in Complex with 2,4-dimethyl-5-[3-(1- Phenylethyl)-1h-pyrazol-5-yl]-1,3-thiazole
106. 5k09: Crystal Structure of Comt in Complex with a Thiazole Ligand
107. 5k05: Crystal Structure of Comt in Complex with 4-methyl-2-(4-methylphenyl)- 5-(1h-pyrazol-5-yl)-1,3-thiazole
108. 5k03: Crystal Structure of Comt in Complex with 2,6-dimethyl-3-(1h-pyrazol- 3-yl)imidazo[1,2-a]pyridine
109. 5k01: Crystal Structure of Comt in Complex with 2,7-dimethyl-3-(1h-pyrazol- 3-yl)imidazo[1,2-a]pyridine
110. 5fhq: Crystal Structure of (wt) Rat Catechol-o-methyltransferase in Complex with Adomet and 3,5-dinitrocatechol (dnc)
111. 5fhr: Crystal Structure of Y200L Mutant of Rat Catechol-o-methyltransferase in Complex with Adomet and 3,5-dinitrocatechol
112. 4xuc: Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-o-methyltransferase (comt): Structure with Cmpd18 (1- (biphenyl-3-yl)-3-hydroxypyridin-4(1h)-one)
113. 4xud: Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-o-methyltransferase (comt): Structure with Cmpd32 ([1- (biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic Acid)
114. 4xue: Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-o-methyltransferase (comt): Structure with CMPD27B