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5P9W
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BU of 5p9w by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9Y
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BU of 5p9y by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA3
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BU of 5pa3 by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9Q
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BU of 5p9q by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA1
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BU of 5pa1 by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9V
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BU of 5p9v by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9U
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BU of 5p9u by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA6
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BU of 5pa6 by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA2
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BU of 5pa2 by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9N
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BU of 5p9n by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9X
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BU of 5p9x by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA0
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BU of 5pa0 by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9R
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BU of 5p9r by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA4
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BU of 5pa4 by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9T
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BU of 5p9t by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9S
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BU of 5p9s by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9Z
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BU of 5p9z by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9O
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BU of 5p9o by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA5
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BU of 5pa5 by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9P
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BU of 5p9p by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA7
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BU of 5pa7 by Molmil
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:2021-11-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal Structure of a COMT complex
To be published

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