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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:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PAN
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BU of 5pan by Molmil
Crystal Structure of Factor VIIa in complex with 5-hydroxy-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide
Descriptor: 5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structure of a Factor VIIa 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:2024-04-03
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:2024-04-03
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PAU
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BU of 5pau by Molmil
Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide;2,2,2-trifluoroacetic acid
Descriptor: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5P97
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BU of 5p97 by Molmil
rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(1-methylimidazol-4-yl)methyl]benzamide at 1.30A
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(1-methylimidazol-4-yl)methyl]benzamide, CHLORIDE ION, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-30
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 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:2024-04-03
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PAK
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BU of 5pak by Molmil
Crystal Structure of Factor VIIa in complex with N-[[4-(aminomethyl)-2-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxyacetamide;hydrochloride
Descriptor: (2~{S})-~{N}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de, CALCIUM ION, Coagulation factor VII heavy chain, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PB5
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BU of 5pb5 by Molmil
human factor VIIa in complex with 1-[[3-[5-hydroxy-4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea at 1.84A
Descriptor: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-16
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5P91
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BU of 5p91 by Molmil
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
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-[5-(2-methylpyridin-4-yl)-4H-1,2,4-triazol-3-yl]ethyl]benzamide, CHLORIDE ION, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-29
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P8X
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BU of 5p8x by Molmil
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
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-29
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P95
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BU of 5p95 by Molmil
rat catechol O-methyltransferase in complex with N-[5-(6-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.30A
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-30
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 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:2024-04-03
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P93
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BU of 5p93 by Molmil
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
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide, CHLORIDE ION, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-29
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PAA
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BU of 5paa by Molmil
Crystal Structure of Factor VIIa in complex with cyclohexylmethanamine
Descriptor: AMINOMETHYLCYCLOHEXANE, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAM
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BU of 5pam by Molmil
Crystal Structure of Factor VIIa in complex with 2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
Descriptor: (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PB0
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BU of 5pb0 by Molmil
Crystal Structure of Factor VIIa in complex with 2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid
Descriptor: (2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of a Factor VIIa 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:2024-04-03
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PAB
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BU of 5pab by Molmil
Crystal Structure of Factor VIIa in complex with 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenylurea
Descriptor: 1-[[3-[2-oxidanyl-3-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAR
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BU of 5par by Molmil
Crystal Structure of Factor VIIa in complex with 1H-benzimidazol-2-amine
Descriptor: 1H-benzimidazol-2-amine, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5P8Z
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BU of 5p8z by Molmil
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
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-29
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P92
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BU of 5p92 by Molmil
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
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-29
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9D
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BU of 5p9d by Molmil
rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-imidazol-1-ylpentyl)benzamide at 1.42A
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-imidazol-1-ylpentyl)benzamide, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-30
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9E
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BU of 5p9e by Molmil
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
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-30
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 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:2024-04-03
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal Structure of a COMT complex
To be published

219515

数据于2024-05-08公开中

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