1AKP | | SEQUENTIAL 1H,13C AND 15N NMR ASSIGNMENTS AND SOLUTION CONFORMATION OF APOKEDARCIDIN | | Descriptor: | APOKEDARCIDIN | | Authors: | Constantine, K.L., Colson, K.L., Wittekind, M., Friedrichs, M.S., Zein, N., Tuttle, J., Langley, D.R., Leet, J.E., Schroeder, D.R., Lam, K.S., Farmer II, B.T., Metzler, W.J., Bruccoleri, R.E., Mueller, L. | | Deposit date: | 1994-06-20 | | Release date: | 1994-08-31 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Sequential 1H, 13C, and 15N NMR assignments and solution conformation of apokedarcidin.
Biochemistry, 33, 1994
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3RO5 | | CRYSTAL STRUCTURE OF INFLUENZA A VIRUS NUCLEOPROTEIN WITH LIGAND | | Descriptor: | Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone | | Authors: | Pearce, B.C., Edavettal, S., McDonnell, P.A., Lewis, H.A., Steinbacher, S., Baldwin, E.T., Langley, D.R., Maskos, K., Mortl, M., Kiefersauer, R. | | Deposit date: | 2011-04-25 | | Release date: | 2011-09-14 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3TG6 | | CRYSTAL STRUCTURE OF INFLUENZA A VIRUS NUCLEOPROTEIN WITH LIGAND | | Descriptor: | Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone | | Authors: | Pearce, B.C., Lewis, H.A., McDonnell, P.A., Steinbacher, S., Kiefersauer, R., Mortl, M., Maskos, K., Edavettal, S., Baldwin, E.T., Langley, D.R. | | Deposit date: | 2011-08-17 | | Release date: | 2012-08-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Biophysical and Structural Characterization of a Novel Class of Influenza Virus Inhibitors
To be Published
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4CL1 | | THE CRYSTAL STRUCTURE OF NS5A DOMAIN 1 FROM GENOTYPE 1A REVEALS NEW CLUES TO THE MECHANISM OF ACTION FOR DIMERIC HCV INHIBITORS | | Descriptor: | NON-STRUCTURAL PROTEIN 5A, ZINC ION, SULFATE ION | | Authors: | Lambert, S.M., Langley, D.R., Garnett, J.A., Angell, R., Hedgethorne, K., Meanwell, N.A., Matthews, S.J. | | Deposit date: | 2014-01-10 | | Release date: | 2014-04-02 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The Crystal Structure of Ns5A Domain 1 from Genotype 1A Reveals New Clues to the Mechanism of Action for Dimeric Hcv Inhibitors.
Protein Sci., 23, 2014
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4DYA | | CRYSTAL STRUCTURE OF WSN/A INFLUENZA NUCLEOPROTEIN WITH BMS-885986 LIGAND BOUND | | Descriptor: | Nucleocapsid protein, N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide | | Authors: | Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R. | | Deposit date: | 2012-02-28 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | To be determined
To be Published
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4DYB | | CRYSTAL STRUCTURE OF WSN/A INFLUENZA NUCLEOPROTEIN WITH BMS-883559 LIGAND BOUND | | Descriptor: | Nucleocapsid protein, N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide | | Authors: | Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R. | | Deposit date: | 2012-02-28 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | To be determined
To be Published
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4DYN | | CRYSTAL STRUCTURE OF WSN/A INFLUENZA NUCLEOPROTEIN WITH BMS-885838 LIGAND BOUND | | Descriptor: | Nucleocapsid protein, N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide | | Authors: | Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R. | | Deposit date: | 2012-02-29 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | To be determined
To be Published
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4DYP | | CRYSTAL STRUCTURE OF WSN/A INFLUENZA NUCLEOPROTEIN WITH BMS-831780 LIGAND BOUND | | Descriptor: | Nucleocapsid protein, [4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone | | Authors: | Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R. | | Deposit date: | 2012-02-29 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | To be determined
To be Published
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4DYS | | CRYSTAL STRUCTURE OF APO SWINE FLU INFLUENZA NUCLEOPROTEIN | | Descriptor: | Nucleocapsid protein | | Authors: | Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R. | | Deposit date: | 2012-02-29 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | To be determined
To be Published
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4DYT | | CRYSTAL STRUCTURE OF WSN/A INFLUENZA NUCLEOPROTEIN WITH THREE MUTATIONS (E53D, Y289H, Y313V) | | Descriptor: | Nucleocapsid protein | | Authors: | Lewis, H.A., Baldwin, E.T., Steinbacher, S., Maskos, K., Mortl, M., Kiefersauer, R., Edavettal, S., McDonnell, P.A., Pearce, B.C., Langley, D.R. | | Deposit date: | 2012-02-29 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | To be determined
To be Published
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2FXD | |
2FXE | |
2OJ9 | | STRUCTURE OF IGF-1R KINASE DOMAIN COMPLEXED WITH A BENZIMIDAZOLE INHIBITOR | | Descriptor: | Insulin-like growth factor 1 receptor precursor (EC 2.7.10.1) (Insulin-like growth factor I receptor) (IGF-I receptor) (CD221 antigen), 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE | | Authors: | Sack, J.S., Jacobson, B.L. | | Deposit date: | 2007-01-12 | | Release date: | 2007-05-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and initial SAR of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-ones as inhibitors of insulin-like growth factor 1-receptor (IGF-1R).
Bioorg.Med.Chem.Lett., 17, 2007
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3I81 | | CRYSTAL STRUCTURE OF INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR (IGF-1R-WT) COMPLEX WITH BMS-754807 [1-(4-((5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO)PYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)-N-(6-FLUORO-3-PYRIDINYL)-2-METHYL-L-PROLINAMIDE] | | Descriptor: | Insulin-like growth factor 1 receptor, 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-prolinamide | | Authors: | Sack, J.S. | | Deposit date: | 2009-07-09 | | Release date: | 2009-12-22 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
J.Med.Chem., 52, 2009
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4PTC | | STRUCTURE OF A CARBOXAMIDE COMPOUND (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) TO GSK3B | | Descriptor: | Glycogen synthase kinase-3 beta, 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide | | Authors: | Lewis, H.A., Sivaprakasam, P., Kish, K., Pokross, M., Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.711 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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4PTE | | STRUCTURE OF A CARVOXAMIDE COMPOUND (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) TO GSK3B | | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | | Authors: | Lewis, H.A., Sivaprakasam, P., Kish, K., Pokross, M., Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2015-06-10 | | Method: | X-RAY DIFFRACTION (2.033 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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4PTG | | STRUCTURE OF A CARBOXAMINE COMPOUND (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) TO GSK3B | | Descriptor: | Glycogen synthase kinase-3 beta, 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide | | Authors: | Lewis, H.A., Sivaprakasam, P., Kish, K., Pokross, M., Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2015-06-10 | | Method: | X-RAY DIFFRACTION (2.361 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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5F94 | | CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH COMPOUND 15: 2-[(CYCLOPROPYLCARBONYL)AMINO]-N-(4-METHOXYPYRIDIN-3-YL)PYRIDINE-4-CARBOXAMIDE | | Descriptor: | Glycogen synthase kinase-3 beta, 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide | | Authors: | Lewis, H.A., Kish, K., Luo, G., Dubowchick, G.M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-02-03 | | Last modified: | 2016-02-24 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
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5F95 | | CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH COMPOUND 18: 2-[(CYCLOPROPYLCARBONYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIDINE-4-CARBOXAMIDE | | Descriptor: | Glycogen synthase kinase-3 beta, 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide | | Authors: | Lewis, H.A., Kish, K., Luo, G., Dubowchick, G.M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-02-03 | | Last modified: | 2016-02-24 | | Method: | X-RAY DIFFRACTION (2.525 Å) | | Cite: | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
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5U7M | | CRYSTAL STRUCTURE OF HIV-1 BG505 SOSIP.664 PREFUSION ENV TRIMER BOUND TO SMALL MOLECULE HIV-1 ENTRY INHIBITOR BMS-378806 IN COMPLEX WITH HUMAN ANTIBODIES PGT122 AND 35O22 AT 3.8 ANGSTROM | | Descriptor: | Envelope glycoprotein gp160, 35O22 FAB HEAVY CHAIN, 35O22 FAB LIGHT CHAIN, ... | | Authors: | Pancera, M., Lai, Y.-T., Kwong, P.D. | | Deposit date: | 2016-12-12 | | Release date: | 2017-08-30 | | Last modified: | 2017-09-27 | | Method: | X-RAY DIFFRACTION (3.025 Å) | | Cite: | Crystal structures of trimeric HIV envelope with entry inhibitors BMS-378806 and BMS-626529.
Nat. Chem. Biol., 13, 2017
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5U7O | | CRYSTAL STRUCTURE OF HIV-1 BG505 SOSIP.664 PREFUSION ENV TRIMER BOUND TO SMALL MOLECULE HIV-1 ENTRY INHIBITOR BMS-626529 IN COMPLEX WITH HUMAN ANTIBODIES PGT122 AND 35O22 AT 3.8 ANGSTROM | | Descriptor: | Envelope glycoprotein gp160, 35O22 FAB HEAVY CHAIN, 35O22 FAB LIGHT CHAIN, ... | | Authors: | Pancera, M., Lai, Y.-T., Kwong, P.D. | | Deposit date: | 2016-12-12 | | Release date: | 2017-08-30 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (3.031 Å) | | Cite: | Crystal structures of trimeric HIV envelope with entry inhibitors BMS-378806 and BMS-626529.
Nat. Chem. Biol., 13, 2017
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6MTJ | |
6MTN | |
6MU6 | |
6MU7 | |
