Author results

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
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
2K8P
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CHARACTERISATION OF THE STRUCTURAL FEATURES AND INTERACTIONS OF SCLEROSTIN: MOLECULAR INSIGHT INTO A KEY REGULATOR OF WNT-MEDIATED BONE FORMATION
Descriptor:Sclerostin
Authors:Veverka, V., Henry, A.J., Slocombe, P.M., Ventom, A., Mulloy, B., Muskett, F.W., Muzylak, M., Greenslade, K., Moore, A., Zhang, L., Gong, J., Qian, X., Paszty, C., Taylor, R.J., Robinson, M.K., Carr, M.D.
Deposit date:2008-09-18
Release date:2009-02-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Characterization of the Structural Features and Interactions of Sclerostin: Molecular insight into a key regulator of Wnt-mediated bone formation
J.Biol.Chem., 284, 2009
3TGV
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CRYSTAL STRUCTURE OF HUTZ,THE HEME STORSGE PROTEIN FROM VIBRIO CHOLERAE
Descriptor:Heme-binding protein HutZ, BENZOIC ACID
Authors:Liu, X., Gong, J., Wang, Z., Du, Q., Wei, T., Zhu, D., Huang, Y., Xu, S., Gu, L.
Deposit date:2011-08-17
Release date:2012-08-22
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Crystal structure of HutZ,the heme storsge protein from Vibrio cholerae
To be Published
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
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
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
4IKG
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CRYSTAL STRUCTURE OF CELL DEATH-INDUCING DFFA-LIKE EFFECTOR C
Descriptor:Cell death activator CIDE-3, IODIDE ION
Authors:Yang, M., Gao, J.
Deposit date:2012-12-26
Release date:2014-06-04
Method:X-RAY DIFFRACTION (1.9318 Å)
Cite:Perilipin1 promotes unilocular lipid droplet formation through the activation of Fsp27 in adipocytes.
Nat Commun, 4, 2013
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
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
5KSI
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CRYSTAL STRUCTURE OF DEOXYGENATED HEMOGLOBIN IN COMPLEX WITH SPHINGOSINE PHOSPHATE AND 2,3-BISPHOSPHOGLYCERATE
Descriptor:Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ahmed, M.H., Safo, M.K., Xia, Y.
Deposit date:2016-07-08
Release date:2017-07-26
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
5KSJ
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CRYSTAL STRUCTURE OF DEOXYGENATED HEMOGLOBIN IN COMPLEX WITH SPHINGOSINE PHOSPHATE
Descriptor:Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ahmed, M.H., Safo, M.K., Xia, Y.
Deposit date:2016-07-08
Release date:2017-07-26
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
1ZP5
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A N-HYDROXYUREA INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Campestre, C., Agamennone, M., Tortorella, P., Preziuso, S., Biasone, A., Gavuzzo, E., Pochetti, G., Mazza, F., Tschesche, H., Gallina, C.
Deposit date:2005-05-16
Release date:2005-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: Mode of binding in a complex with MMP-8.
Bioorg.Med.Chem.Lett., 16, 2006