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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
5HD4
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DISSECTING THERAPEUTIC RESISTANCE TO ERK INHIBITION RAT WILD TYPE SCH772984 IN COMPLEX WITH (3R)-1-(2-OXO-2-{4-[4-(PYRIMIDIN-2-YL)PHENYL]PIPERAZIN-1-YL}ETHYL)-N-[3-(PYRIDIN-4-YL)-2H-INDAZOL-5-YL]PYRROLIDINE-3-CARBOXAMIDE
Descriptor:Mitogen-activated protein kinase 1, (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, SULFATE ION, ...
Authors:Jha, S., Morris, E.J., Hruza, A., Mansueto, M.S., Schroeder, G., Arbanas, J., McMasters, D., Restaino, C.R., Dayananth, R., Black, S., Elsen, N.L., Mannarino, A., Cooper, A., Fawell, S., Zawel, L., Jayaraman, L., Samatar, A.A.
Deposit date:2016-01-04
Release date:2016-02-24
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
5HD7
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DISSECTING THERAPEUTIC RESISTANCE TO ERK INHIBITION RAT MUTANT SCH772984 IN COMPLEX WITH (3R)-1-(2-OXO-2-{4-[4-(PYRIMIDIN-2-YL)PHENYL]PIPERAZIN-1-YL}ETHYL)-N-[3-(PYRIDIN-4-YL)-2H-INDAZOL-5-YL]PYRROLIDINE-3-CARBOXAMIDE
Descriptor:Mitogen-activated protein kinase 1, (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, SULFATE ION
Authors:Jha, S., Morris, E.J., Hruza, A., Mansueto, M.S., Schroeder, G., Arbanas, J., McMasters, D., Restaino, C.R., Dayananth, R., Black, S., Elsen, N.L., Mannarino, A., Cooper, A., Fawell, S., Zawel, L., Jayaraman, L., Samatar, A.A.
Deposit date:2016-01-04
Release date:2016-02-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
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