Author results

1HPG
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A GLUTAMIC ACID SPECIFIC SERINE PROTEASE UTILIZES A NOVEL HISTIDINE TRIAD IN SUBSTRATE BINDING
分子名称:Glutamic acid specific protease, BOC-ALA-ALA-PRO-GLU PEPTIDE
著者Nienaber, V.L., Birktoft, J.J.
登録日1993-04-28
公開日1995-07-10
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A glutamic acid specific serine protease utilizes a novel histidine triad in substrate binding.
Biochemistry, 32, 1993
1XBB
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CRYSTAL STRUCTURE OF THE SYK TYROSINE KINASE DOMAIN WITH GLEEVEC
分子名称:Tyrosine-protein kinase SYK, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
著者Nienaber, V.L., Atwell, S., Adams, J.M., Badger, J., Buchanan, M.D., Feil, I.K., Froning, K.J., Gao, X., Hendle, J., Keegan, K., Leon, B.C., Muller-Deickmann, H.J., Noland, B.W., Post, K., Rajashankar, K.R., Ramos, A., Russell, M., Burley, S.K., Buchanan, S.G.
登録日2004-08-30
公開日2004-11-02
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A Novel Mode of Gleevec Binding Is Revealed by the Structure of Spleen Tyrosine Kinase
J.Biol.Chem., 279, 2004
1OWD
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
分子名称:Urokinase-type plasminogen activator, 6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE
著者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.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献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
分子名称:Urokinase-type plasminogen activator, SULFATE ION, 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE
著者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.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称:Urokinase-type plasminogen activator, SULFATE ION, 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
著者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.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献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
分子名称:Urokinase-type plasminogen activator, 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
著者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.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献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
分子名称:Urokinase-type plasminogen activator, 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE
著者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.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
分子名称:Urokinase-type plasminogen activator, 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE
著者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.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称:Urokinase-type plasminogen activator, TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE
著者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.
登録日2004-07-30
公開日2004-10-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
1RRI
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DHNA COMPLEX WITH 3-(5-AMINO-7-HYDROXY-[1,2,3] TRIAZOLO [4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
分子名称:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-08
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RRW
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DHNA COMPLEXED WITH 9-METHYLGUANINE
分子名称:Dihydroneopterin aldolase, 9-METHYLGUANINE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RRY
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DHNA COMPLEXED WITH 2-AMINO-4-HYDROXY-5-CARBOXYETHYLPYRIMIDINE
分子名称:Dihydroneopterin aldolase, 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RS2
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DHNA COMPLEX WITH 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
分子名称:Dihydroneopterin aldolase, 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RS4
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DHNA, 7,8-DIHYDRONEOPTERIN ALDOLASE COMPLEXED WITH 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
分子名称:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RSD
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DHNA COMPLEX WITH 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE
分子名称:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RSI
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DHNA COMPLEX WITH 2-AMINO-5-BROMO-3-HYDROXY-6-PHENYLPYRIMIDINE
分子名称:Dihydroneopterin aldolase, 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1U68
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DHNA 7,8 DIHYDRONEOPTERIN COMPLEX
分子名称:Dihydroneopterin aldolase, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2004-07-29
公開日2004-10-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.
J.MED.CHEM., 47, 2004
1XBA
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CRYSTAL STRUCTURE OF APO SYK TYROSINE KINASE DOMAIN
分子名称:Tyrosine-protein kinase SYK
著者Atwell, S., Adams, J.M., Badger, J., Buchanan, M.D., Feil, I.K., Froning, K.J., Gao, X., Hendle, J., Keegan, K., Leon, B.C., Muller-Deickmann, H.J., Nienaber, V.L., Noland, B.W., Post, K., Rajashankar, K.R., Ramos, A., Russell, M., Burley, S.K., Buchanan, S.G.
登録日2004-08-30
公開日2004-11-02
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase.
J.Biol.Chem., 279, 2004
1XBC
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CRYSTAL STRUCTURE OF THE SYK TYROSINE KINASE DOMAIN WITH STAUROSPORIN
分子名称:Tyrosine-protein kinase SYK, STAUROSPORINE
著者Badger, J., Atwell, S., Adams, J.M., Buchanan, M.D., Feil, I.K., Froning, K.J., Gao, X., Hendle, J., Keegan, K., Leon, B.C., Muller-Deickmann, H.J., Nienaber, V.L., Noland, B.W., Post, K., Rajashankar, K.R., Ramos, A., Russell, M., Burley, S.K., Buchanan, S.G.
登録日2004-08-30
公開日2004-11-02
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase
J.Biol.Chem., 279, 2004
4POK
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CRYSTAL STRUCTURES OF THIOREDOXIN WITH MESNA AT 2.5A RESOLUTION
分子名称:Thioredoxin, 1-THIOETHANESULFONIC ACID
著者Sridhar, V., Chie-Leon, B., Badger, J., Nienaber, V.L., Hausheer, F.H.
登録日2014-02-25
公開日2014-10-29
最終更新日2015-03-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
4POL
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CRYSTAL STRUCTURES OF THIOREDOXIN WITH MESNA AT 2.8A RESOLUTION
分子名称:Thioredoxin, 1-THIOETHANESULFONIC ACID
著者Sridhar, V., Chie-Leon, B., Badger, J., Nienaber, V.L., Hausheer, F.H.
登録日2014-02-26
公開日2014-10-29
最終更新日2015-03-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
4POM
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CRYSTAL STRUCTURES OF THIOREDOXIN WITH MESNA AT 1.85A RESOLUTION
分子名称:Thioredoxin, 1-THIOETHANESULFONIC ACID
著者Sridhar, V., Chie-Leon, B., Badger, J., Nienaber, V.L., Hausheer, F.H.
登録日2014-02-26
公開日2014-10-29
最終更新日2015-03-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
4RQR
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CRYSTAL STRUCTURE OF HUMAN GLUTAREDOXIN WITH MESNA
分子名称:Glutaredoxin-1, 1-THIOETHANESULFONIC ACID
著者Badger, J., Sridhar, V., Logan, C., Hausheer, F.H., Nienaber, V.L.
登録日2014-11-04
公開日2015-04-01
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787.
Molecules, 20, 2015
4RQX
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CRYSTAL STRUCTURE OF HUMAN PEROXIREDOXIN 4(THIOREDOXIN PEROXIDASE) WITH MESNA
分子名称:Peroxiredoxin-4, 1-THIOETHANESULFONIC ACID
著者Badger, J., Sridhar, V., Logan, C., Hausheer, F.H., Nienaber, V.L.
登録日2014-11-05
公開日2015-04-01
実験手法X-RAY DIFFRACTION (2.256 Å)
主引用文献Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787.
Molecules, 20, 2015
4TT7
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CRYSTAL STRUCTURE OF HUMAN ALK WITH A COVALENT MODIFICATION
分子名称:ALK tyrosine kinase receptor, 1-THIOETHANESULFONIC ACID, 1,2-ETHANEDIOL
著者Badger, J., Sridhar, V., Chie-Leon, B., Nienaber, V.L., Hausheer, F.H.
登録日2014-06-19
公開日2015-02-11
最終更新日2015-06-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel covalent modification of human anaplastic lymphoma kinase (ALK) and potentiation of crizotinib-mediated inhibition of ALK activity by BNP7787.
Onco Targets Ther, 8, 2015
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