4HYH
 
 | | X-RAY Crystal structure of compound 39 bound to human chk1 kinase domain | | 分子名称: | 2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1 | | 著者 | Fischmann, T.O. | | 登録日 | 2012-11-13 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
3U3E
 | |
7CFD
 | | Drosophila melanogaster Krimper eTud2-AubR15me2 complex | | 分子名称: | FI20010p1, Protein aubergine | | 著者 | Hu, H, Li, S. | | 登録日 | 2020-06-25 | | 公開日 | 2021-06-02 | | 最終更新日 | 2021-09-15 | | 実験手法 | X-RAY DIFFRACTION (2.704 Å) | | 主引用文献 | Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex.
Nat Commun, 12, 2021
|
|
7CFB
 | | Drosophila melanogaster Krimper eTud1 apo structure | | 分子名称: | FI20010p1, SULFATE ION | | 著者 | Hu, H, Li, S. | | 登録日 | 2020-06-25 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex.
Nat Commun, 12, 2021
|
|
7CFC
 | | Drosophila melanogaster Krimper eTud1-Ago3 complex | | 分子名称: | FI20010p1, Protein argonaute-3 | | 著者 | Hu, H, Li, S. | | 登録日 | 2020-06-25 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex.
Nat Commun, 12, 2021
|
|
6E6J
 | | BRD2_Bromodomain2 complex with inhibitor 744 | | 分子名称: | Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | 著者 | Longenecker, K.L, Park, C.H, Bigelow, L. | | 登録日 | 2018-07-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
|
|
6R8X
 | |
6OVC
 | | hMcl1 inhibitor complex | | 分子名称: | (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Poppe, L. | | 登録日 | 2019-05-07 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
|
|
5W1S
 | |
5W1T
 | |
5WSU
 | | Crystal structure of Myosin VIIa IQ5-SAH in complex with apo-CaM | | 分子名称: | Calmodulin, Unconventional myosin-VIIa | | 著者 | Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M. | | 登録日 | 2016-12-08 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
|
|
6ONY
 | | BRD2_Bromodomain1 complex with inhibitor 744 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | 著者 | Longenecker, K.L, Bigelow, L. | | 登録日 | 2019-04-22 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
|
|
1FJ1
 | |
6LZ7
 | |
6LZ3
 | |
6LDZ
 | | Crystal structure of Rv0222 from Mycobacterium tuberculosis | | 分子名称: | Probable enoyl-CoA hydratase EchA1 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase) | | 著者 | Li, J, Ran, Y.J, Wang, L, Wu, J.H, Ge, B.X, Rao, Z.H. | | 登録日 | 2019-11-23 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Host-mediated ubiquitination of a mycobacterial protein suppresses immunity.
Nature, 577, 2020
|
|
6OQY
 | | Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator | | 分子名称: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | 著者 | Mays, S.G, Ortlund, E.A. | | 登録日 | 2019-04-29 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
|
|
1XWN
 | | solution structure of cyclophilin like 1(PPIL1) and insights into its interaction with SKIP | | 分子名称: | Peptidyl-prolyl cis-trans isomerase like 1 | | 著者 | Xu, C, Xu, Y, Tang, Y, Wu, J, Shi, Y, Huang, Q, Zhang, Q. | | 登録日 | 2004-11-01 | | 公開日 | 2005-10-18 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of human peptidyl prolyl isomerase like protein 1 and insights into its interaction with SKIP
J.Biol.Chem., 281, 2006
|
|
6AGF
 | | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1 | | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N. | | 登録日 | 2018-08-11 | | 公開日 | 2018-10-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1.
Science, 362, 2018
|
|
7CYD
 | | Cryo-EM structures of Alphacoronavirus spike glycoprotein | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G. | | 登録日 | 2020-09-03 | | 公開日 | 2020-12-23 | | 最終更新日 | 2021-06-02 | | 実験手法 | ELECTRON MICROSCOPY (3.55 Å) | | 主引用文献 | Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes.
Nat Commun, 12, 2021
|
|
8IAB
 | | The Arabidopsis CLCa transporter bound with chloride, ATP and PIP2 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chloride channel protein CLC-a, ... | | 著者 | Yang, Z, Zhang, X, Zhang, P. | | 登録日 | 2023-02-08 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
|
|
8IAD
 | | The Arabidopsis CLCa transporter bound with nitrate, ATP and PIP2 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Chloride channel protein CLC-a, MAGNESIUM ION, ... | | 著者 | Yang, Z, Zhang, X, Zhang, P. | | 登録日 | 2023-02-08 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | | 主引用文献 | Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
|
|
7DNO
 | | Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique | | 分子名称: | CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5 | | 著者 | Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T. | | 登録日 | 2020-12-10 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
|
|
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
|
|
8IFP
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1 | | 分子名称: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-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 (1.78 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
|
|
