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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
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
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
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
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
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
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
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
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
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:2024-04-03
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:2024-04-03
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PAF
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BU of 5paf by Molmil
Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]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 (1.5 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
5PAX
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BU of 5pax by Molmil
Crystal Structure of Factor VIIa in complex with 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea
Descriptor: 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]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 (1.36 Å)
Cite:Crystal Structure of a Factor VIIa 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
5PB2
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BU of 5pb2 by Molmil
Crystal Structure of Factor VIIa in complex with 2-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-3-ol
Descriptor: 1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol, CALCIUM ION, CHLORIDE ION, ...
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 (1.45 Å)
Cite:Crystal Structure of a Factor VIIa 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
5PAQ
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BU of 5paq by Molmil
Crystal Structure of Factor VIIa in complex with 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
Descriptor: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(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 (1.59 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5P98
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BU of 5p98 by Molmil
rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-(2-hydroxyethyl)benzamide at 1.20A
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(2-hydroxyethyl)benzamide, ...
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 (1.2 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:2024-04-03
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA8
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BU of 5pa8 by Molmil
Crystal Structure of Factor VIIa in complex with cyclohexanamine
Descriptor: CALCIUM ION, CHLORIDE ION, CYCLOHEXYLAMMONIUM 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
5PAJ
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BU of 5paj by Molmil
Crystal Structure of Factor VIIa in complex with 1-(1-aminoisoquinolin-6-yl)-3-benzylurea
Descriptor: 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)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 (1.7 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PB4
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BU of 5pb4 by Molmil
human factor VIIa in complex with 1-[[3-[5-hydroxy-3-methyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea at 2.43A
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 (2.43 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5P9C
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BU of 5p9c by Molmil
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
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-pyrrolo[3,2-c]pyridin-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 (1.7 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:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of a COMT complex
To be published

219140

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