Author results

2BZ6
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ORALLY AVAILABLE FACTOR7A INHIBITOR
Descriptor:BLOOD COAGULATION FACTOR VIIA, (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID, SULFATE ION, ...
Authors:Groebke-Zbinden, K., Obst-Sander, U., Hilpert, K., Kuehne, H., Banner, D.W., Boehm, H.J., Stahl, M., Ackermann, J., Alig, L., Weber, L., Wessel, H.P., Riederer, M.A., Tschopp, T.B., Lave, T.
Deposit date:2005-08-11
Release date:2006-02-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Dose-Dependant Antithrombotic Activity of an Orally Active Tissue Factor/Factor Viia Inhibitor without Concomitant Enhancement of Bleeding Propensity.
Bioorg.Med.Chem., 14, 2006
1W8B
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FACTOR7 - 413 COMPLEX
Descriptor:BLOOD COAGULATION FACTOR VIIA, CALCIUM ION, (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-ACETYLAMINO]-PHENYL-ACETIC ACID
Authors:Ackermann, J., Alig, L., Banner, D.W., Boehm, H.-J., Groebke-Zbinden, K., Hilpert, K., Lave, T., Kuehne, H., Obst-Sander, U., Riederer, M.A., Stahl, M., Tschopp, T.B., Weber, L., Wessel, H.P.
Deposit date:2004-09-17
Release date:2005-10-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Selective and Orally Bioavailable Phenylglycine Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1W0Y
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TF7A_3771 COMPLEX
Descriptor:BLOOD COAGULATION FACTOR VIIA, TISSUE FACTOR, 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, ...
Authors:Banner, D.W., D'Arcy, A., Groebke-Zbinden, K., Ackermann, J., Kirchhofer, D., Ji, Y.-H., Tschopp, T.B., Wallbaum, S., Weber, L.
Deposit date:2004-05-27
Release date:2005-01-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1W2K
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TF7A_4380 COMPLEX
Descriptor:BLOOD COAGULATION FACTOR VIIA, TISSUE FACTOR, (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, ...
Authors:Banner, D.W., D'Arcy, A., Groebke-Zbinden, K., Ackermann, J., Kirchhofer, D., Ji, Y.-H., Tschopp, T.B., Wallbaum, S., Weber, L.
Deposit date:2004-07-06
Release date:2005-06-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2VVC
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AMINOPYRROLIDINE FACTOR XA INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide, ...
Authors:Groebke-Zbinden, K., Banner, D.W., Benz, J.M., Blasco, F., Decoret, G., Himber, J., Kuhn, B., Panday, N., Ricklin, F., Risch, P., Schlatter, D., Stahl, M., Unger, R., Haap, W.
Deposit date:2008-06-05
Release date:2009-07-07
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
2VVU
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AMINOPYRROLIDINE FACTOR XA INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide, ...
Authors:Groebke-Zbinden, K., Banner, D.W., Benz, J.M., Blasco, F., Decoret, G., Himber, J., Kuhn, B., Panday, N., Ricklin, F., Risch, P., Schlatter, D., Stahl, M., Unger, R., Haap, W.
Deposit date:2008-06-11
Release date:2009-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
2VVV
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AMINOPYRROLIDINE-RELATED TRIAZOLE FACTOR XA INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide, ...
Authors:Groebke-Zbinden, K., Banner, D.W., Benz, J.M., Blasco, F., Decoret, G., Himber, J., Kuhn, B., Panday, N., Ricklin, F., Risch, P., Schlatter, D., Stahl, M., Unger, R., Haap, W.
Deposit date:2008-06-12
Release date:2009-07-07
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
2VWL
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AMINOPYRROLIDINE FACTOR XA INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ...
Authors:Groebke-Zbinden, K., Banner, D.W., Benz, J.M., Blasco, F., Decoret, G., Himber, J., Kuhn, B., Panday, N., Ricklin, F., Risch, P., Schlatter, D., Stahl, M., Unger, R., Haap, W.
Deposit date:2008-06-26
Release date:2009-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
2VWM
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AMINOPYRROLIDINE FACTOR XA INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide, ...
Authors:Groebke-Zbinden, K., Banner, D.W., Benz, J.M., Blasco, F., Decoret, G., Himber, J., Kuhn, B., Panday, N., Ricklin, F., Risch, P., Schlatter, D., Stahl, M., Unger, R., Haap, W.
Deposit date:2008-06-26
Release date:2009-07-07
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
2VWN
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AMINOPYRROLIDINE FACTOR XA INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide, ...
Authors:Groebke-Zbinden, K., Banner, D.W., Benz, J.M., Blasco, F., Decoret, G., Himber, J., Kuhn, B., Panday, N., Ricklin, F., Risch, P., Schlatter, D., Stahl, M., Unger, R., Haap, W.
Deposit date:2008-06-26
Release date:2009-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
2VWO
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AMINOPYRROLIDINE FACTOR XA INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE, ...
Authors:Groebke-Zbinden, K., Banner, D.W., Benz, J.M., Blasco, F., Decoret, G., Himber, J., Kuhn, B., Panday, N., Ricklin, F., Risch, P., Schlatter, D., Stahl, M., Unger, R., Haap, W.
Deposit date:2008-06-26
Release date:2009-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
1W7X
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FACTOR7 - 413 COMPLEX
Descriptor:BLOOD COAGULATION FACTOR VIIA, GLYCEROL, CALCIUM ION, ...
Authors:Ackermann, J., Alig, L., Banner, D.W., Boehm, H.-J., Groebke-Zbinden, K., Hilpert, K., Lave, T., Kuehne, H., Obst-Sander, U., Riederer, M.A., Stahl, M., Tschopp, T.B., Weber, L., Wessel, H.P.
Deposit date:2004-09-14
Release date:2005-10-25
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Selective and Orally Bioavailable Phenylglycine Tissue Factor/Factor Viia Inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
5P9N
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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:Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ehler, A., Jakob-Roetne, R., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9O
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HUMANIZED RAT COMT IN COMPLEX WITH 7-FLUORO-5,6-BIS(4-FLUOROPHENYL)-8-HYDROXY-3H-QUINAZOLIN-4-ONE
Descriptor:Catechol O-methyltransferase, 7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Ehler, A., Lerner, C., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9P
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HUMANIZED RAT COMT IN COMPLEX WITH 5,6-BIS(4-FLUOROPHENYL)-8-HYDROXY-3H-QUINAZOLIN-4-ONE
Descriptor:Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ehler, A., Jakob-Roetne, R., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9Q
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HUMANIZED RAT COMT IN COMPLEX WITH 6-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-8-HYDROXY-3H-QUINAZOLIN-4-ONE
Descriptor:Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ehler, A., Jakob-Roetne, R., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9R
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HUMANIZED RAT COMT IN COMPLEX WITH 5-CHLORO-6-(4-FLUOROPHENYL)-8-HYDROXY-3H-QUINAZOLIN-4-ONE
Descriptor:Catechol O-methyltransferase, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Ehler, A., Jakob-Roetne, R., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9S
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HUMANIZED RAT COMT IN COMPLEX WITH 8-HYDROXY-6-[3-METHYL-5-(4-METHYLPIPERAZINE-1-CARBONYL)THIOPHEN-2-YL]-3H-QUINAZOLIN-4-ONE
Descriptor:Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, MAGNESIUM ION, ...
Authors:Ehler, A., Jakob-Roetne, R., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9T
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HUMANIZED RAT CATECHOL O-METHYLTRANSFERASE IN COMPLEX WITH 6-(4-FLUOROPHENYL)-8-HYDROXY-3H-QUINAZOLIN-4-ONE
Descriptor:Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ehler, A., Buettelmann, B., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9U
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HUMANIZED RAT CATECHOL O-METHYLTRANSFERASE IN COMPLEX WITH SAH AND 6-BROMO-8-HYDROXY-3H-QUINAZOLIN-4-ONE
Descriptor:Catechol O-methyltransferase, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Ehler, A., Buettelmann, B., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9V
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HUMANIZED RAT COMT IN COMPLEX WITH 8-HYDROXY-6-(2-METHYLPYRIDIN-3-YL)-3H-QUINAZOLIN-4-ONE
Descriptor:Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ehler, A., Buettelmann, B., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9W
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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:Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ehler, A., Lerner, C., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9X
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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:Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ehler, A., Lerner, C., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9Y
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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:Catechol O-methyltransferase, MAGNESIUM ION, 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:2018-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9Z
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HUMANIZED RAT COMT IN COMPLEX WITH 6-(4-FLUOROPHENYL)QUINAZOLIN-8-OL
Descriptor:Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ehler, A., Lerner, C., Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of a COMT complex
To be published
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