Author results

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
2O1Y
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-29
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O21
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-2, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-29
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O22
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-2, N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-29
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O2F
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-2, 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-29
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O2M
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-30
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O2N
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-30
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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
5UEU
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BRD4_BD2_A-1107604
Descriptor:Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEW
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BRD2 BROMODOMAIN2 WITH A-1360579
Descriptor:Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEX
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BRD4_BD2_A-1497627
Descriptor:Bromodomain-containing protein 4, 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEY
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BRD4_BD2_A-1412838
Descriptor:Bromodomain-containing protein 4, 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEZ
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BRD4_BD2_A-1342843
Descriptor:Bromodomain-containing protein 4, 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UF0
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BRD4_BD2-A-35165
Descriptor:Bromodomain-containing protein 4, 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-06-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017