Author results

3TTI
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CRYSTAL STRUCTURE OF JNK3 COMPLEXED WITH CC-930, AN ORALLY ACTIVE ANTI-FIBROTIC JNK INHIBITOR
Descriptor:Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol, GLYCEROL
Authors:Plantevin-Krenitsky, V., Nadolny, L., Delgado, M., Ayala, L., Clareen, S., Hilgraf, R., Albers, R., Hegde, S., D'Sidocky, N., Sapienza, J., Wright, J., McCarrick, M., Bahmanyar, S., Chamberlain, P., Delker, S.L., Muir, J., Giegel, D., Xu, L., Celeridad, M., Lachowitzer, J., Bennett, B., Moghaddam, M., Khatsenko, O., Katz, J., Fan, R., Bai, A., Tang, Y., Shirley, M.A., Benish, B., Bodine, T., Blease, K., Raymon, H., Cathers, B.E., Satoh, Y.
Deposit date:2011-09-14
Release date:2012-02-01
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
3TTJ
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CRYSTAL STRUCTURE OF JNK3 COMPLEXED WITH CC-359, A JNK INHIBITOR FOR THE PREVENTION OF ISCHEMIA-REPERFUSION INJURY
Descriptor:Mitogen-activated protein kinase 10, 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine
Authors:Plantevin-Krenitsky, V., Delgado, M., Nadolny, L., Sahasrabudhe, K., Ayala, S., Clareen, S., Hilgraf, R., Albers, R., Kois, A., Hughes, K., Wright, J., Nowakowski, J., Sudbeck, E., Ghosh, S., Bahmanyar, S., Chamberlain, P., Muir, J., Cathers, B.E., Giegel, D., Xu, L., Celeridad, M., Moghaddam, M., Khatsenko, O., Omholt, P., Katz, J., Pai, S., Fan, R., Tang, Y., Shirley, M.A., Benish, B., Blease, K., Raymon, H., Bhagwat, S., Bennett, B., Satoh, Y.
Deposit date:2011-09-14
Release date:2012-01-25
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury.
Bioorg.Med.Chem.Lett., 22, 2012
1JG1
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CRYSTAL STRUCTURE OF L-ISOASPARTYL (D-ASPARTYL) O-METHYLTRANSFERASE WITH S-ADENOSYL-L-HOMOCYSTEINE
Descriptor:protein-L-isoaspartate O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Griffith, S.C., Sawaya, M.R., Boutz, D., Thapar, N., Katz, J., Clarke, S., Yeates, T.O.
Deposit date:2001-06-22
Release date:2001-11-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
1JG2
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CRYSTAL STRUCTURE OF L-ISOASPARTYL (D-ASPARTYL) O-METHYLTRANSFERASE WITH ADENOSINE
Descriptor:protein-L-isoaspartate O-methyltransferase, SODIUM ION, ADENOSINE
Authors:Griffith, S.C., Sawaya, M.R., Boutz, D., Thapar, N., Katz, J., Clarke, S., Yeates, T.O.
Deposit date:2001-06-22
Release date:2001-11-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
1JG3
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CRYSTAL STRUCTURE OF L-ISOASPARTYL (D-ASPARTYL) O-METHYLTRANSFERASE WITH ADENOSINE & VYP(ISP)HA SUBSTRATE
Descriptor:protein-L-isoaspartate O-methyltransferase, VYP(L-iso-ASP)HA, CHLORIDE ION, ...
Authors:Griffith, S.C., Sawaya, M.R., Boutz, D., Thapar, N., Katz, J., Clarke, S., Yeates, T.O.
Deposit date:2001-06-22
Release date:2001-11-16
Last modified:2011-07-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
1JG4
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CRYSTAL STRUCTURE OF L-ISOASPARTYL (D-ASPARTYL) O-METHYLTRANSFERASE WITH S-ADENOSYLMETHIONINE
Descriptor:protein-L-isoaspartate O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Griffith, S.C., Sawaya, M.R., Boutz, D., Thapar, N., Katz, J., Clarke, S., Yeates, T.O.
Deposit date:2001-06-22
Release date:2001-11-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
6B4W
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TTK IN COMPLEX WITH INHIBITOR
Descriptor:Dual specificity protein kinase TTK, 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION
Authors:Delker, S., Chamberlain, P.P.
Deposit date:2017-09-27
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017