5PAU
| 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
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5P8X
| 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
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5P95
| 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
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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
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5PAA
| 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
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5P8Z
| 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
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5P9D
| 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
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5PA0
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5PAQ
| 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
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5P92
| 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
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5P9E
| 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
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5P9R
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5PA4
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5PAF
| 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
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5PAX
| 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
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5PB2
| 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
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5P98
| 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
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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
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5PA8
| 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
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5PAJ
| 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: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of a Factor VIIa complex To be published
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5PB4
| 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
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5Q01
| Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(4,5-dichloro-2-methylpyrazol-3-yl)oxyphenyl]sulfonylurea | Descriptor: | Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-18 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(4,5-dichloro-2-methylpyrazol-3-yl)oxyphenyl]sulfonylurea To be published
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5Q03
| Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methylpropyl)thiophen-2-yl]sulfonylurea | Descriptor: | Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-18 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methylpropyl)thiophen-2-yl]sulfonylurea To be published
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5PZS
| Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea | Descriptor: | Fructose-1,6-bisphosphatase 1, N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-11 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.368 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea To be published
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5PZR
| Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[3-[3-[(3-chlorophenyl)sulfonylcarbamoylamino]propoxy]propyl]urea | Descriptor: | Fructose-1,6-bisphosphatase 1, N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide) | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-11 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[3-[3-[(3-chlorophenyl)sulfonylcarbamoylamino]propoxy]propyl]urea To be published
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