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
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
1A7G
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THE CRYSTAL STRUCTURE OF THE E2 DNA-BINDING DOMAIN FROM HUMAN PAPILLOMAVIRUS AT 2.4 ANGSTROMS
Descriptor:REGULATORY PROTEIN E2, SULFATE ION
Authors:Bussiere, D.E., Giranda, V.L.
Deposit date:1998-03-13
Release date:1999-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the E2 DNA-binding domain from human papillomavirus serotype 31 at 2.4 A.
Acta Crystallogr.,Sect.D, 54, 1998
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
2F7X
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PROTEIN KINASE A BOUND TO (S)-2-(1H-INDOL-3-YL)-1-[5-((E)-2-PYRIDIN-4-YL-VINYL)-PYRIDIN-3-YLOXYMETHYL]-ETHYLAMINE
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI, ...
Authors:Li, Q., Li, T., Zhu, G.D., Gong, J., Claibone, A., Dalton, C., Luo, Y., Johnson, E.F., Shi, Y., Liu, X., Klinghofer, V., Bauch, J.L., Marsh, K.C., Bouska, J.J., Arries, S., De Jong, R., Oltersdorf, T., Stoll, V.S., Jakob, C.G., Rosenberg, S.H., Giranda, V.L.
Deposit date:2005-12-01
Release date:2006-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 16, 2006
2F7Z
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PROTEIN KINASE A BOUND TO (R)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI, ...
Authors:Li, Q., Woods, K.W., Thomas, S., Zhu, G.D., Packard, G., Fisher, J., Li, T., Gong, J., Dinges, J., Song, X., Abrams, J., Luo, Y., Johnson, E.F., Shi, Y., Liu, X., Klinghofer, V., Des Jong, R., Oltersdorf, T., Stoll, V.S., Jakob, C.G., Rosenberg, S.H., Giranda, V.L.
Deposit date:2005-12-01
Release date:2006-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
2UZT
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PKA STRUCTURES OF AKT, INDAZOLE-PYRIDINE INHIBITORS
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZU
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PKA STRUCTURES OF INDAZOLE-PYRIDINE SERIES OF AKT INHIBITORS
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZV
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PKA STRUCTURES OF INDAZOLE-PYRIDINE SERIES OF AKT INHIBITORS
Descriptor:CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, ...
Authors:Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZW
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PKA STRUCTURES OF INDAZOLE-PYRIDINE SERIES OF AKT INHIBITORS
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
1RHI
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HUMAN RHINOVIRUS 3 COAT PROTEIN
Descriptor:HUMAN RHINOVIRUS 3 COAT PROTEIN, CALCIUM ION
Authors:Zhao, R., Rossmann, M.G.
Deposit date:1996-06-17
Release date:1997-03-12
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human rhinovirus 3 at 3.0 A resolution.
Structure, 4, 1996
2F7E
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PKA COMPLEXED WITH (S)-2-(1H-INDOL-3-YL)-1-(5-ISOQUINOLIN-6-YL-PYRIDIN-3-YLOXYMETHYL-ETYLAMINE
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI inhibitory peptide, ...
Authors:Stoll, V.S.
Deposit date:2005-11-30
Release date:2006-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
2GHG
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H-CHK1 COMPLEXED WITH A431994
Descriptor:Serine/threonine-protein kinase Chk1, 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE
Authors:Park, C.
Deposit date:2006-03-27
Release date:2007-03-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery and SAR of oxindole-pyridine-based protein kinase B/Akt inhibitors for treating cancers.
Bioorg.Med.Chem.Lett., 16, 2006
2OH0
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CRYSTAL STRUCTURE OF PROTEIN KINASE A IN COMPLEX WITH PYRIDINE-PYRAZOLOPYRIDINE BASED INHIBITORS
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, Inhibitory peptide, ...
Authors:Stoll, V.S.
Deposit date:2007-01-09
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
2OJF
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CRYSTAL STRUCTURE OF PROTEIN KINASE A IN COMPLEX WITH PYRIDINE-PYRAZOLOPYRIDINE BASED INHIBITORS
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, Inhibitory peptide, ...
Authors:Stoll, V.S.
Deposit date:2007-01-12
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
3GJW
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PARP COMPLEXED WITH A968427
Descriptor:Poly [ADP-ribose] polymerase 1, 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
Authors:Park, C.H.
Deposit date:2009-03-09
Release date:2010-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and SAR of novel tricyclic quinoxalinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1)
Bioorg.Med.Chem.Lett., 19, 2009
3L3L
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PARP COMPLEXED WITH A906894
Descriptor:Poly [ADP-ribose] polymerase 1, 3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide
Authors:Park, C.H.
Deposit date:2009-12-17
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and SAR of substituted 3-oxoisoindoline-4-carboxamides as potent inhibitors of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3L3M
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PARP COMPLEXED WITH A927929
Descriptor:Poly [ADP-ribose] polymerase 1, 2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide
Authors:Park, C.H.
Deposit date:2009-12-17
Release date:2010-06-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor.
J.Med.Chem., 53, 2010