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4QYY
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DISCOVERY OF NOVEL, DUAL MECHANISM ERK INHIBITORS BY AFFINITY SELECTION SCREENING OF AN INACTIVE KINASE STATE
Descriptor:Mitogen-activated protein kinase 1, (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, SULFATE ION
Authors:Deng, Y., Shipps, G.W., Cooper, A., English, J.M., Annis, D.A., Carr, D., Nan, Y., Wang, T., Zhu, Y.H., Chuang, C., Dayananth, P., Hruza, A.W., Xiao, L., Jin, W., Kirschmeier, P., Windsor, W.T., Samatar, A.A.
Deposit date:2014-07-26
Release date:2014-11-12
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
6DCG
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DISCOVERY OF MK-8353: AN ORALLY BIOAVAILABLE DUAL MECHANISM ERK INHIBITOR FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide
Authors:Boga, S.B., Deng, Y., Zhu, L., Nan, Y., Cooper, A., Shipps Jr., G.W., Doll, R., Shih, N., Zhu, H., Sun, R., Wang, T., Paliwal, S., Tsui, H., Gao, X., Yao, X., Desai, J., Wang, J., Alhassan, A.B., Kelly, J., Patel, M., Muppalla, K., Gudipati, S., Zhang, L., Buevich, A., Hesk, D., Carr, D., Dayananth, P., Mei, H., Cox, K., Sherborne, B., Hruza, A.W., Xiao, L., Jin, W., Long, B., Liu, G., Taylor, S.A., Kirschmeier, P., Windsor, W.T., Bishop, R., Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
3KSQ
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DISCOVERY OF C-IMIDAZOLE AZAHEPTAPYRIDINE FPT INHIBITORS
Descriptor:Farnesyltransferase, CAAX box, alpha, ...
Authors:Zhu, H.Y., Cooper, A.B., Njoroge, G., Kirschmeier, P., Strickland, C., Hruza, A., Girijavallabhan, V.M.
Deposit date:2009-11-23
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of C-imidazole azaheptapyridine FPT inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6CPW
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DISCOVERY OF 3(S)-THIOMETHYL PYRROLIDINE ERK INHIBITORS FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
Authors:Hruza, A., Hruza, A.
Deposit date:2018-03-14
Release date:2018-05-23
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
4NJ3
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MODULATING THE INTERACTION BETWEEN CDK2 AND CYCLIN A WITH A QUINOLINE-BASED INHIBITOR
Descriptor:Cyclin-dependent kinase 2, 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
Authors:Fischmann, T.O., Hruza, A.W.
Deposit date:2013-11-08
Release date:2013-11-27
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor.
Bioorg.Med.Chem.Lett., 24, 2014