7SVP
 
 | |
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
|
|
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
|
|
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
|
|
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
|
|
5TWN
 | | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | | 分子名称: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA- DEPENDENT RNA POLYMERASE, ... | | 著者 | Sheriff, S. | | 登録日 | 2016-11-14 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | | 主引用文献 | The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
|
|
5TWM
 | | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ... | | 著者 | Sheriff, S. | | 登録日 | 2016-11-14 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
|
|
4ZK5
 | | MAP4K4 in complex with inhibitor GNE-495 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ... | | 著者 | Harris, S.F, Wu, P, Coons, M. | | 登録日 | 2015-04-29 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis.
Acs Med.Chem.Lett., 6, 2015
|
|
8UAU
 | | human ATE1 in complex with Arg-tRNA and a peptide substrate | | 分子名称: | Isoform ATE1-2 of Arginyl-tRNA--protein transferase 1, RNA (76-MER), ZINC ION, ... | | 著者 | Huang, W, Zhang, Y, Taylor, D.J. | | 登録日 | 2023-09-22 | | 公開日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | | 主引用文献 | Oligomerization and a distinct tRNA-binding loop are important regulators of human arginyl-transferase function.
Nat Commun, 15, 2024
|
|
8TZV
 | | Apo form of human ATE1 | | 分子名称: | Isoform ATE1-2 of Arginyl-tRNA--protein transferase 1, ZINC ION | | 著者 | Huang, W, Zhang, Y, Taylor, D.J. | | 登録日 | 2023-08-28 | | 公開日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Oligomerization and a distinct tRNA-binding loop are important regulators of human arginyl-transferase function.
Nat Commun, 15, 2024
|
|
2XA4
 | | Inhibitors of Jak2 Kinase domain | | 分子名称: | 5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Read, J, Green, I, Pollard, H, Howard, T, Mott, R. | | 登録日 | 2010-03-26 | | 公開日 | 2010-12-15 | | 最終更新日 | 2019-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Discovery of 5-Chloro-N2-[(1S)-1-(5-Fluoropyrimidin-2-Yl) Ethyl]-N4-(5-Methyl-1H-Pyrazol-3-Yl)Pyrimidine-2,4-Diamine (Azd1480) as a Novel Inhibitor of the Jak/Stat Pathway
J.Med.Chem., 54, 2011
|
|
9C6M
 | | Yasminevirus c12orf29, a 5' to 3' RNA ligase, K73M mutant | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, RNA ligase1 | | 著者 | Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R. | | 登録日 | 2024-06-07 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation
To Be Published
|
|
8JBN
 | | Vascular endothelial protein tyrosine phosphatase in complex with Cpd-1 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid, ... | | 著者 | Orita, T, Furuzono, T, Doi, S, Adachi, T. | | 登録日 | 2023-05-09 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
|
|
8JBY
 | | Vascular endothelial protein tyrosine phosphatase in complex with Cpd-2 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid, ... | | 著者 | Orita, T, Furuzono, T, Doi, S, Adachi, T. | | 登録日 | 2023-05-10 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
|
|
9C6L
 | | Yasminevirus c12orf29, a 5' to 3' RNA ligase | | 分子名称: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, RNA ligase1, ... | | 著者 | Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R. | | 登録日 | 2024-06-07 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation
To Be Published
|
|
7JM5
 | | Crystal structure of KDM4B in complex with QC6352 | | 分子名称: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2020-07-31 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
|
|
5KO1
 | | Pseudokinase Domain of MLKL bound to Compound 4. | | 分子名称: | Mixed lineage kinase domain-like protein, [(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate | | 著者 | Marcotte, D.J. | | 登録日 | 2016-06-29 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
|
|
5KNJ
 | | Pseudokinase Domain of MLKL bound to Compound 1. | | 分子名称: | 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea, Mixed lineage kinase domain-like protein | | 著者 | Marcotte, D.J. | | 登録日 | 2016-06-28 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
|
|
4EOX
 | |
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
|
|
5UJ2
 | | Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU | | 分子名称: | (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ... | | 著者 | Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E. | | 登録日 | 2017-01-16 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
8Y0R
 | |
8Y0Q
 | |
8YB7
 | | SARS-CoV-2 DMV nsp3-4 pore complex (consensus-pore, C3 symmetry) | | 分子名称: | Non-structural protein 4, Papain-like protease nsp3 | | 著者 | Huang, Y.X, Zhong, L.J, Zhang, W.X, Ni, T. | | 登録日 | 2024-02-12 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-09-18 | | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | | 主引用文献 | Molecular architecture of coronavirus double-membrane vesicle pore complex.
Nature, 633, 2024
|
|
8YAX
 | | SARS-CoV-2 DMV nsp3-4 pore complex (full-pore) | | 分子名称: | Non-structural protein 4, Papain-like protease nsp3 | | 著者 | Huang, Y.X, Zhong, L.J, Zhang, W.X, Ni, T. | | 登録日 | 2024-02-10 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-09-18 | | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | | 主引用文献 | Molecular architecture of coronavirus double-membrane vesicle pore complex.
Nature, 633, 2024
|
|
