Author results

1HPG
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A GLUTAMIC ACID SPECIFIC SERINE PROTEASE UTILIZES A NOVEL HISTIDINE TRIAD IN SUBSTRATE BINDING
Descriptor:Glutamic acid specific protease, BOC-ALA-ALA-PRO-GLU PEPTIDE
Authors:Nienaber, V.L., Birktoft, J.J.
Deposit date:1993-04-28
Release date:1995-07-10
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor:Tyrosine-protein kinase SYK, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
Authors: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.
Deposit date:2004-08-30
Release date:2004-11-02
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
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
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
Descriptor:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
Authors: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.
Deposit date:2003-12-08
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 9-METHYLGUANINE
Authors: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.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
Authors: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.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
Authors: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.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
Authors: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.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE
Authors: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.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL
Authors: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.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor:Dihydroneopterin aldolase, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE
Authors: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.
Deposit date:2004-07-29
Release date:2004-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor:Tyrosine-protein kinase SYK
Authors: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.
Deposit date:2004-08-30
Release date:2004-11-02
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Tyrosine-protein kinase SYK, STAUROSPORINE
Authors: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.
Deposit date:2004-08-30
Release date:2004-11-02
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Thioredoxin, 1-THIOETHANESULFONIC ACID
Authors:Sridhar, V., Chie-Leon, B., Badger, J., Nienaber, V.L., Hausheer, F.H.
Deposit date:2014-02-25
Release date:2014-10-29
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite: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
Descriptor:Thioredoxin, 1-THIOETHANESULFONIC ACID
Authors:Sridhar, V., Chie-Leon, B., Badger, J., Nienaber, V.L., Hausheer, F.H.
Deposit date:2014-02-26
Release date:2014-10-29
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor:Thioredoxin, 1-THIOETHANESULFONIC ACID
Authors:Sridhar, V., Chie-Leon, B., Badger, J., Nienaber, V.L., Hausheer, F.H.
Deposit date:2014-02-26
Release date:2014-10-29
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor:Glutaredoxin-1, 1-THIOETHANESULFONIC ACID
Authors:Badger, J., Sridhar, V., Logan, C., Hausheer, F.H., Nienaber, V.L.
Deposit date:2014-11-04
Release date:2015-04-01
Method:X-RAY DIFFRACTION (1.08 Å)
Cite: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
Descriptor:Peroxiredoxin-4, 1-THIOETHANESULFONIC ACID
Authors:Badger, J., Sridhar, V., Logan, C., Hausheer, F.H., Nienaber, V.L.
Deposit date:2014-11-05
Release date:2015-04-01
Method:X-RAY DIFFRACTION (2.256 Å)
Cite: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
Descriptor:ALK tyrosine kinase receptor, 1-THIOETHANESULFONIC ACID, 1,2-ETHANEDIOL
Authors:Badger, J., Sridhar, V., Chie-Leon, B., Nienaber, V.L., Hausheer, F.H.
Deposit date:2014-06-19
Release date:2015-02-11
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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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