4G2Y
 
 | | Crystal structure of PDE5A complexed with its inhibitor | | 分子名称: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | 著者 | Ren, J, Chen, T.T, Xu, Y.C. | | 登録日 | 2012-07-13 | | 公開日 | 2013-06-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
|
|
5J3F
 | | NMR solution structure of [Rp, Rp]-PT dsDNA | | 分子名称: | DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3') | | 著者 | Lan, W, Hu, Z, Cao, C. | | 登録日 | 2016-03-30 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
|
|
5J3G
 | |
5J3I
 | | NMR solution structure of [Sp, Sp]-PT dsDNA | | 分子名称: | DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3') | | 著者 | Lan, W, Hu, Z, Cao, C. | | 登録日 | 2016-03-30 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
|
|
5JYK
 | | Deg9 crystal under 289K | | 分子名称: | GLYCEROL, Protease Do-like 9 | | 著者 | Ouyang, M, Zhang, L.X. | | 登録日 | 2016-05-14 | | 公開日 | 2017-05-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.297 Å) | | 主引用文献 | The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
|
|
4R3M
 | | Crystal structure of Human Hsp90 with JR9 | | 分子名称: | Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine | | 著者 | Li, J, Yang, M, Ren, J, Xiong, B, He, J. | | 登録日 | 2014-08-16 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity.
Org.Biomol.Chem., 13, 2015
|
|
4RVZ
 | | Crystal structure of tRNA fluorescent labeling enzyme | | 分子名称: | MAGNESIUM ION, N-(4-aminobutyl)-2-azidoacetamide, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | 著者 | Dong, J, Li, F, Wang, J, Gong, W. | | 登録日 | 2014-11-29 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A covalent approach for site-specific RNA labeling in Mammalian cells.
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
6IFE
 | | A Glycoside Hydrolase Family 43 beta-Xylosidase | | 分子名称: | Beta-xylosidase, GLYCEROL | | 著者 | Li, N, Liu, Y, Zhang, R, Zhou, J.P, Huang, Z.X. | | 登録日 | 2018-09-20 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.804 Å) | | 主引用文献 | Biochemical and structural properties of a low-temperature-active glycoside hydrolase family 43 beta-xylosidase: Activity and instability at high neutral salt concentrations.
Food Chem, 301, 2019
|
|
3NUP
 | | CDK6 (monomeric) in complex with inhibitor | | 分子名称: | 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6 | | 著者 | Chopra, R. | | 登録日 | 2010-07-07 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
|
|
3NUX
 | | CDK6 (monomeric) in complex with inhibitor | | 分子名称: | 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6 | | 著者 | Chopra, R. | | 登録日 | 2010-07-07 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
|
|
4IA0
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Ren, J, Chen, T, Xu, Y. | | 登録日 | 2012-12-05 | | 公開日 | 2014-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
4I9Z
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | 著者 | Ren, J, Chen, T, Xu, Y. | | 登録日 | 2012-12-05 | | 公開日 | 2014-01-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
6YMV
 | |
6YMW
 | |
4EZ5
 | | CDK6 (monomeric) in complex with inhibitor | | 分子名称: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | | 著者 | Chopra, R, Xu, M. | | 登録日 | 2012-05-02 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
|
|
4OEW
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Ren, J, Xu, Y.C. | | 登録日 | 2014-01-14 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
|
|
4OEX
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Ren, J, Xu, Y.C. | | 登録日 | 2014-01-14 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
|
|
3HHU
 | | Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819} | | 分子名称: | Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | | 著者 | Adler, M, Whitlow, M. | | 登録日 | 2009-05-17 | | 公開日 | 2009-07-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Potent triazolothione inhibitor of heat-shock protein-90.
Chem.Biol.Drug Des., 74, 2009
|
|
2PE0
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX | | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ... | | 著者 | Whitlow, M, Adler, M. | | 登録日 | 2007-04-01 | | 公開日 | 2007-06-12 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
2PE1
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX | | 分子名称: | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | | 著者 | Whitlow, M, Adler, M. | | 登録日 | 2007-04-01 | | 公開日 | 2007-06-12 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
8IJK
 | | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | | 分子名称: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | 著者 | Ma, D, Guo, J. | | 登録日 | 2023-02-27 | | 公開日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 2024
|
|
6JLU
 | | Structure of PSII-FCP supercomplex from a centric diatom Chaetoceros gracilis at 3.02 angstrom resolution | | 分子名称: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | 著者 | Pi, X, Zhao, S, Wang, W, Kuang, T, Sui, S, Shen, J. | | 登録日 | 2019-03-06 | | 公開日 | 2019-07-31 | | 最終更新日 | 2019-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.
Science, 365, 2019
|
|
3SHZ
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Chen, T, Xu, Y.C. | | 登録日 | 2011-06-17 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.449 Å) | | 主引用文献 | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
|
|
3SHY
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Chen, T, Xu, Y.C. | | 登録日 | 2011-06-17 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.647 Å) | | 主引用文献 | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
|
|
3SIE
 | |
