3S68
 
 | | Rat COMT in complex with SAM and Tolcapone at 1.85A, P3221, Rfree=22.0 | | Descriptor: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2011-05-25 | | Release date: | 2012-02-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
|
|
3OE5
 | | Rat catechol O-methyltransferase in complex with a catechol-type, pyridylsulfanyl-containing inhibitor - humanized form | | Descriptor: | Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2010-08-12 | | Release date: | 2011-03-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
|
|
3OZT
 | | Rat catechol O-methyltransferase in complex with a catechol-type, 4-oxo-pyridinyl-containing inhibitor - humanized form | | Descriptor: | Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
|
|
3OZS
 | | Rat catechol O-methyltransferase in complex with a catechol-type, trifluoromethyl-imidazolyl-containing inhibitor - humanized form | | Descriptor: | Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
|
|
7FTG
 | |
7FTF
 | | Crystal Structure of apo human cyclic GMP-AMP synthase | | Descriptor: | 1,2-ETHANEDIOL, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FTH
 | |
7FTI
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-(4-fluorophenyl)-2-methylpyrazole-3-carboxylic acid | | Descriptor: | 3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FTJ
 | |
7FTK
 | |
7FTR
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | | Descriptor: | (2Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ... | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Canesso, R, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FTS
 | |
7FTL
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid | | Descriptor: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FTM
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, [2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FTT
 | |
7FTU
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-N-[4-(4-chlorophenyl)sulfonylphenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | | Descriptor: | (2Z)-N-[4-(4-chlorobenzene-1-sulfonyl)phenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ... | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FTN
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with propanedioic acid | | Descriptor: | Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*TP*T)-3'), ... | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Urban, R, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FTV
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-2-hydroxy-N-(quinolin-6-ylmethyl)benzamide | | Descriptor: | 5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Hunziker, D, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.875 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FTX
 | |
7FTO
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid | | Descriptor: | (5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Zhou, C, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FU0
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-phenylphenyl)methylamino]-5-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one | | Descriptor: | (8S)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Hunziker, D, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FU2
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid | | Descriptor: | (5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Zhou, C, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FU3
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid | | Descriptor: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.822 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FU5
 | | Crystal Structure of human cyclic GMP-AMP synthase | | Descriptor: | (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, SULFATE ION, ... | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
7FU6
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-benzyl-6-(2-chloro-4-methylphenyl)indazole-4-carboxylic acid | | Descriptor: | (6M)-2-benzyl-6-(2-chloro-4-methylphenyl)-2H-indazole-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Hunziker, D, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
|
|
