4H86
 
 | | Crystal structure of Ahp1 from Saccharomyces cerevisiae in reduced form | | 分子名称: | Peroxiredoxin type-2 | | 著者 | Liu, M, Wang, F, Qiu, R, Wu, T, Gu, S, Tang, R, Ji, C. | | 登録日 | 2012-09-21 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | | 主引用文献 | Crystal structure of Ahp1 from Saccharomyces cerevisiae in reduced form
To be Published
|
|
6J0I
 | | Structure of [Co2+-(Chromomycin A3)2]-d(TTGGCGAA)2 complex | | 分子名称: | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | | 著者 | Satange, R.B, Chuang, C.Y, Hou, M.H. | | 登録日 | 2018-12-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Polymorphic G:G mismatches act as hotspots for inducing right-handed Z DNA by DNA intercalation.
Nucleic Acids Res., 47, 2019
|
|
6J0H
 | |
7DQ8
 | |
7DQ0
 | |
7X9F
 | | Crystal structure of actinomycin D-echinomycin-d(AGCGCGT/ACGCGCT) complex | | 分子名称: | 2-CARBOXYQUINOXALINE, DNA (5'-D(P*AP*CP*GP*CP*GP*CP*T)-3'), DNA (5'-D(P*AP*GP*CP*GP*CP*GP*T)-3'), ... | | 著者 | Kao, S.H, Satange, R.B, Hou, M.H. | | 登録日 | 2022-03-15 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
|
|
7X6R
 | | Crystal structure of actinomycin D-echinomycin-d(AGCACGT/ACGGGCT) complex | | 分子名称: | 2-CARBOXYQUINOXALINE, Actinomycin D, COBALT (II) ION, ... | | 著者 | Kao, S.H, Satange, R.B, Hou, M.H. | | 登録日 | 2022-03-08 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
|
|
7X97
 | | Crystal structure of actinomycin D-echinomycin-d(AGCCCGT/ACGGGCT) complex | | 分子名称: | 2-CARBOXYQUINOXALINE, Actinomycin D, CHLORIDE ION, ... | | 著者 | Kao, S.H, Satange, R.B, Hou, M.H. | | 登録日 | 2022-03-15 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
|
|
7XDJ
 | | Crystal structure of actinomycin D-echinomycin-d(AGCGCGT/ACGAGCT) complex | | 分子名称: | 2-CARBOXYQUINOXALINE, CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*AP*GP*CP*(BRU))-3'), ... | | 著者 | Chien, C.M, Satange, R.B, Hou, M.H. | | 登録日 | 2022-03-27 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.435 Å) | | 主引用文献 | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
|
|
7UEP
 | | PANK3 complex structure with compound PZ-3860 | | 分子名称: | 1,2-ETHANEDIOL, 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, MAGNESIUM ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UEO
 | | PANK3 complex structure with compound PZ-3977 | | 分子名称: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UES
 | | PANK3 complex structure with compound PZ-4202 | | 分子名称: | MAGNESIUM ION, N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UE4
 | | PANK3 complex structure with compound PZ-3855 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, ACETATE ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-21 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UER
 | |
7UE3
 | | PANK3 complex structure with compound PZ-3804 | | 分子名称: | 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-21 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UEQ
 | | PANK3 complex structure with compound PZ-4061 | | 分子名称: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UET
 | | PANK3 complex structure with compound PZ-4140 | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UEY
 | | PANK3 complex structure with compound PZ-4128 | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UE5
 | | PANK3 complex structure with compound PZ-3741 | | 分子名称: | 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-21 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UEV
 | |
7UE7
 | | PANK3 complex structure with compound PZ-3883 | | 分子名称: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, ACETATE ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-21 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UEU
 | |
7UEX
 | | PANK3 complex structure with compound PZ-4127 | | 分子名称: | 1,2-ETHANEDIOL, 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate, ACETATE ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
7UE6
 | | PANK3 complex structure with compound PZ-3802 | | 分子名称: | 1,2-ETHANEDIOL, 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, ACETATE ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-21 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
|
|
8IFQ
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 | | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2023-02-19 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
|
|
