7MU7
 
 | | Ask1 bound to compound 3 | | 分子名称: | 1,2-ETHANEDIOL, 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, ... | | 著者 | Chodaparambil, J.V, Marcotte, D.J. | | 登録日 | 2021-05-14 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.298 Å) | | 主引用文献 | Discovery of Potent, Selective and CNS-Penetrant Apoptosis Signal-regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation in Vivo
To Be Published
|
|
4OM2
 | |
4OM3
 | |
7MFH
 | | Crystal structure of BIO-32546 bound mouse Autotaxin | | 分子名称: | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Chodaparambil, J.V. | | 登録日 | 2021-04-09 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Acs Med.Chem.Lett., 12, 2021
|
|
1ZLA
 | | X-ray Structure of a Kaposi's sarcoma herpesvirus LANA peptide bound to the nucleosomal core | | 分子名称: | Histone H4, Palindromic 146bp Human alpha-Satellite DNA fragment, Xenopus laevis-like histone H2A, ... | | 著者 | Chodaparambil, J.V, Barbera, A.J, Kaye, K.M, Luger, K. | | 登録日 | 2005-05-05 | | 公開日 | 2006-02-28 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The nucleosomal surface as a docking station for Kaposi's sarcoma herpesvirus LANA.
Science, 311, 2006
|
|
6VRF
 | | ADP bound TTBK2 kinase domain | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Chodaparambil, J.V, Marcotte, D.J. | | 登録日 | 2020-02-07 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Mechanisms of Regulation and Diverse Activities of Tau-Tubulin Kinase (TTBK) Isoforms.
Cell Mol Neurobiol, 41, 2021
|
|
7SXF
 | | BIO-2895 (BRD0705) bound GSK3alpha-axin complex | | 分子名称: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Axin peptide, CALCIUM ION, ... | | 著者 | Chodaparambil, J.V. | | 登録日 | 2021-11-23 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
|
|
7SXG
 | | BIO-8546 bound GSK3alpha-axin complex | | 分子名称: | (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Axin peptide, Glycogen synthase kinase-3 alpha | | 著者 | Chodaparambil, J.V. | | 登録日 | 2021-11-23 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
|
|
7SXJ
 | | BIO-2895 (BRD0705) bound GSK3beta-axin complex | | 分子名称: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta, axin peptide | | 著者 | Chodaparambil, J.V. | | 登録日 | 2021-11-23 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
|
|
7SXH
 | | BIO-8546 bound GSK3beta-axin complex | | 分子名称: | (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Glycogen synthase kinase-3 beta, axin peptide | | 著者 | Chodaparambil, J.V. | | 登録日 | 2021-11-23 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
|
|
6BFI
 | |
6U0K
 | | TTBK2 kinase domain in complex with Compound 1 | | 分子名称: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Marcotte, D.J, Chodaparambil, J.V. | | 登録日 | 2019-08-14 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.744 Å) | | 主引用文献 | The crystal structure of the catalytic domain of tau tubulin kinase 2 in complex with a small-molecule inhibitor
Acta Crystallogr.,Sect.F, 76, 2020
|
|
7SVP
 | |
6OHR
 | |
6OHO
 | | Structure of human Phospholipase D2 catalytic domain | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Phospholipase D2, ... | | 著者 | Metrick, C.M, Chodaparambil, J.V. | | 登録日 | 2019-04-06 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
|
|
6OHP
 | |
6OHQ
 | |
6OHS
 | |
6OHM
 | |
6VRE
 | | Structure of ASK1 bound to BIO-1772961 | | 分子名称: | 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5 | | 著者 | Chodaparambil, J.V, Marcotte, D.J. | | 登録日 | 2020-02-07 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Discovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors.
Acs Med.Chem.Lett., 11, 2020
|
|
7JXY
 | | Structure of TTBK1 kinase domain in complex with Compound 18 | | 分子名称: | (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol, Tau-tubulin kinase 1 | | 著者 | Chodaprambil, J.V. | | 登録日 | 2020-08-28 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.
J.Med.Chem., 64, 2021
|
|
7JXX
 | | Structure of TTBK1 kinase domain in complex with Compound 3 | | 分子名称: | 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, SODIUM ION, Tau-tubulin kinase 1 | | 著者 | Chodaprambil, J.V. | | 登録日 | 2020-08-28 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.
J.Med.Chem., 64, 2021
|
|
3C1B
 | | The effect of H3 K79 dimethylation and H4 K20 trimethylation on nucleosome and chromatin structure | | 分子名称: | Histone 2, H2bf, Histone H2A type 1, ... | | 著者 | Lu, X, Simon, M, Chodaparambil, J, Hansen, J, Shokat, K, Luger, K. | | 登録日 | 2008-01-22 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The effect of H3K79 dimethylation and H4K20 trimethylation on nucleosome and chromatin structure.
Nat.Struct.Mol.Biol., 15, 2008
|
|
3C1C
 | | The effect of H3 K79 dimethylation and H4 K20 trimethylation on nucleosome and chromatin structure | | 分子名称: | Histone 2, H2bf, Histone H2A type 1, ... | | 著者 | Lu, X, Simon, M, Chodaparambil, J, Hansen, J, Shokat, K, Luger, K. | | 登録日 | 2008-01-22 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | The effect of H3K79 dimethylation and H4K20 trimethylation on nucleosome and chromatin structure.
Nat.Struct.Mol.Biol., 15, 2008
|
|
3NFQ
 | |
