Author results

1OWD
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWE
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, SULFATE ION, 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWH
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, SULFATE ION, 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWI
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWJ
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWK
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1SQA
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, SULFATE ION, 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE
Authors:Wendt, M.D., Geyer, A., McClellan, W.J., Rockway, T.W., Weitzberg, M., Zhao, X., Stewart, K., Nienaber, V., Klinghofer, V., Giranda, V.L.
Deposit date:2004-03-18
Release date:2004-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
1SQO
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, SULFATE ION, 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE
Authors:Wendt, M.D., Geyer, A., McClellan, W.J., Rockway, T.W., Weitzberg, M., Zhao, X., Mantei, R., Stewart, K., Nienaber, V., Klinghofer, V., Giranda, V.L.
Deposit date:2004-03-19
Release date:2004-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
1SQT
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE
Authors:Wendt, M.D., Geyer, A., McClellan, W.J., Rockway, T.W., Weitzberg, M., Zhang, X., Mantei, R., Stewart, K., Nienaber, V., Klinghofer, V., Giranda, V.L.
Deposit date:2004-03-19
Release date:2004-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
1U6Q
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SUBSTITUTED 2-NAPHTHAMADINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE
Authors:Bruncko, M., McClellan, W., Wendt, M.D., Sauer, D.R., Geyer, A., Dalton, C.R., Kaminski, M.K., Nienaber, V.L., Rockway, T.R., Giranda, V.L.
Deposit date:2004-07-30
Release date:2004-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
2WW6
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FOLDON CONTAINING D-AMINO ACIDS IN TURN POSITIONS
Descriptor:FIBRITIN, TETRAETHYLENE GLYCOL
Authors:Eckhardt, B., Grosse, W., Essen, L.-O., Geyer, A.
Deposit date:2009-10-22
Release date:2010-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structural Characterization of a Beta-Turn Mimic within a Protein-Protein Interface.
Proc.Natl.Acad.Sci.USA, 107, 2010
2WW7
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FOLDON CONTAINING BETA-TURN MIMIC
Descriptor:FIBRITIN
Authors:Eckhardt, B., Grosse, W., Essen, L.-O., Geyer, A.
Deposit date:2009-10-22
Release date:2010-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Structural Characterization of a Beta-Turn Mimic within a Protein-Protein Interface.
Proc.Natl.Acad.Sci.USA, 107, 2010
5NTJ
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUND RKP032
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-04-28
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
To Be Published
5NW8
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP032 AND FASUDIL
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, UPF0418 protein FAM164A, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-05-05
Release date:2018-05-30
Method:X-RAY DIFFRACTION (2.086 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and Fasudil
To be published
5O0E
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP120 AND FASUDIL
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, RKp120, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, ...
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-05-16
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and Fasudil
To be published
5O5M
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP120 AND RKP117
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, RKp120, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-06-02
Release date:2018-06-13
Method:X-RAY DIFFRACTION (1.583 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp117
To be published
5OK3
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP241 AND FASUDIL
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, UPF0418 protein FAM164A, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-07-25
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp241 and Fasudil
To be published
5OL3
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP013 AND RKP117
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-07-26
Release date:2018-08-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp117
To be published
5OT3
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP191 AND RKP117
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-08-19
Release date:2018-09-05
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp117
To be published
5OTG
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP013 AND RKP190
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-08-21
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp190
To be published
5OUA
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUND RKP017
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP dependent protein kinase inhibitor, RIBOSE(PYRANOSE FORM)
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-08-23
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp017
To be published
5OUC
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP191 AND RKP190
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-08-23
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp190
To be published
5OUS
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP193
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-08-24
Release date:2018-09-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193
To be published
6EGW
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP017 AND RKP117
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-09-12
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp017 and RKp117
To be published
6EH2
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CRYSTAL STRUCTURE OF THE PROTEIN-KINASE A CATALYTIC SUBUNIT FROM CRITECULUS GRISEUS IN COMPLEX WITH COMPOUNDS RKP032 AND AMP
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, ADENOSINE MONOPHOSPHATE, ...
Authors:Mueller, J.M., Heine, A., Klebe, G.
Deposit date:2017-09-12
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and AMP
To be published
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