PDB: 21 resultsInfo pagesStatus searchChemie searchBIRD

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5P9V	humanized rat COMT in complex with 8-hydroxy-6-(2-methylpyridin-3-yl)-3H-quinazolin-4-one Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one, ... Authors: Ehler, A, Buettelmann, B, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.04 Å) Cite: Crystal Structure of a COMT complex To be published
5P9U	humanized rat catechol O-methyltransferase in complex with SAH and 6-bromo-8-hydroxy-3H-quinazolin-4-one Descriptor: 6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one, Catechol O-methyltransferase, MAGNESIUM ION, ... Authors: Ehler, A, Buettelmann, B, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Crystal Structure of a COMT complex To be published
5PA6	humanized rat COMT in complex with 7-(4-fluorophenyl)quinoxalin-5-ol Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 7-(4-fluorophenyl)quinoxalin-5-ol, CHLORIDE ION, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Crystal Structure of a COMT complex To be published
5PA2	humanized rat COMT in complex with 7-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Crystal Structure of a COMT complex To be published
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 Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide, ... Authors: Ehler, A, Jakob-Roetne, R, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Crystal Structure of a COMT complex To be published
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 Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Crystal Structure of a COMT complex To be published
5PA0	humanized rat COMT in complex with 3-hydroxy-1-methyl-5-phenylpyridin-2-one Descriptor: 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Crystal Structure of a COMT complex To be published
5P9T	humanized rat catechol O-methyltransferase in complex with 6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one, ... Authors: Ehler, A, Buettelmann, B, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Crystal Structure of a COMT complex To be published
5P9R	humanized rat COMT in complex with 5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one Descriptor: 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one, CHLORIDE ION, Catechol O-methyltransferase, ... Authors: Ehler, A, Jakob-Roetne, R, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal Structure of a COMT complex To be published
5PA4	humanized rat COMT in complex with 6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one Descriptor: 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one, Catechol O-methyltransferase, MAGNESIUM ION, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Crystal Structure of a COMT complex To be published
5P9S	humanized rat COMT in complex with 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one Descriptor: 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one, Catechol O-methyltransferase, MAGNESIUM ION, ... Authors: Ehler, A, Jakob-Roetne, R, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal Structure of a COMT complex To be published
5P9Z	humanized rat COMT in complex with 6-(4-fluorophenyl)quinazolin-8-ol Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 6-(4-fluorophenyl)quinazolin-8-ol, CHLORIDE ION, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal Structure of a COMT complex To be published
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 Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 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, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Crystal Structure of a COMT complex To be published
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 Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal Structure of a COMT complex To be published
5PA3	humanized COMT in complex with 8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one, CHLORIDE ION, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal Structure of a COMT complex To be published
5P9O	humanized rat COMT in complex with 7-fluoro-5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one, CHLORIDE ION, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Crystal Structure of a COMT complex To be published
5PA5	humanized rat COMT in complex with 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-hydroxy-3H-quinazolin-4-one Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one, ACETATE ION, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Crystal Structure of a COMT complex To be published
5P9P	humanized rat COMT in complex with 5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one, ... Authors: Ehler, A, Jakob-Roetne, R, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Crystal Structure of a COMT complex To be published
5PA7	humanized rat COMT in complex with 6-bromo-3-chloroquinolin-8-ol Descriptor: 6-bromanyl-3-chloranyl-quinolin-8-ol, Catechol O-methyltransferase, MAGNESIUM ION, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Crystal Structure of a COMT complex To be published
5P9Q	humanized rat COMT in complex with 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-hydroxy-3H-quinazolin-4-one Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one, ACETATE ION, ... Authors: Ehler, A, Jakob-Roetne, R, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Crystal Structure of a COMT complex To be published
5PA1	rat catechol O-methyltransferase in complex with SAH and 6-(4-fluorophenyl)quinolin-8-ol Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 6-(4-fluorophenyl)quinolin-8-ol, ... Authors: Ehler, A, Lerner, C, Rudolph, M.G. Deposit date: 2016-10-19 Release date: 2017-11-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Crystal Structure of a COMT complex To be published