Author results

3KSL
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STRUCTURE OF FPT BOUND TO DATFP-DH-GPP
Descriptor:Farnesyltransferase, CAAX box, alpha, ...
Authors:Hovlid, M.L., Edelstein, R.L., Henry, O., Ochocki, J., DeGraw, A., Lenevich, S., Talbot, T., Young, V., Hruza, A.W., Lopez-Gallego, F., Labello, N.P., Strickland, C.L., Schmidt-Dannert, C., Distefano, M.D.
Deposit date:2009-11-23
Release date:2009-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis, properties, and applications of diazotrifluropropanoyl-containing photoactive analogs of farnesyl diphosphate containing modified linkages for enhanced stability.
Chem.Biol.Drug Des., 75, 2010
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
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
2R3Q
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3R
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3F
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3G
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3H
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3I
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3J
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3K
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3L
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3M
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3N
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3O
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3P
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008