8J21
 
 | | Cryo-EM structure of FFAR3 complex bound with butyrate acid | | 分子名称: | Free fatty acid receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Tai, L, Li, F, Sun, X, Tang, W, Wang, J. | | 登録日 | 2023-04-14 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
|
|
2F7E
 | | PKA complexed with (S)-2-(1H-Indol-3-yl)-1-(5-isoquinolin-6-yl-pyridin-3-yloxymethyl-etylamine | | 分子名称: | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE, PKI inhibitory peptide, cAMP-dependent protein kinase, ... | | 著者 | Stoll, V.S. | | 登録日 | 2005-11-30 | | 公開日 | 2006-06-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
6LLX
 | |
6LLC
 | | Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma | | 分子名称: | 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ... | | 著者 | Ye, K, Li, H. | | 登録日 | 2019-12-23 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
J Hematol Oncol, 13, 2020
|
|
5XSG
 | | Ultrahigh resolution structure of FUS (37-42) SYSGYS determined by MicroED | | 分子名称: | RNA-binding protein FUS | | 著者 | Luo, F, Gui, X, Zhou, H, Li, D, Li, X, Liu, C. | | 登録日 | 2017-06-14 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (0.73 Å) | | 主引用文献 | Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018
|
|
8E22
 | | VPS37A_21-148 | | 分子名称: | Vacuolar protein sorting-associated protein 37A | | 著者 | Tian, F, Ye, Y.S. | | 登録日 | 2022-08-12 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Identification of membrane curvature sensing motifs essential for VPS37A phagophore recruitment and autophagosome closure.
Commun Biol, 7, 2024
|
|
2I4X
 | | HIV-1 Protease I84V, L90M with GS-8374 | | 分子名称: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | | 著者 | Hatada, M. | | 登録日 | 2006-08-22 | | 公開日 | 2007-08-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
|
|
2I4W
 | | HIV-1 protease WT with GS-8374 | | 分子名称: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | | 著者 | Hatada, M. | | 登録日 | 2006-08-22 | | 公開日 | 2007-08-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
|
|
2I4D
 | | Crystal structure of WT HIV-1 protease with GS-8373 | | 分子名称: | ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID, Protease | | 著者 | Hatada, M. | | 登録日 | 2006-08-21 | | 公開日 | 2007-08-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
|
|
2I4V
 | | HIV-1 protease I84V, L90M with TMC126 | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease | | 著者 | Hatada, M. | | 登録日 | 2006-08-22 | | 公開日 | 2007-08-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
|
|
2I4U
 | | HIV-1 protease with TMC-126 | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease | | 著者 | Hatada, M. | | 登録日 | 2006-08-22 | | 公開日 | 2007-08-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
|
|
5UTT
 | | SrtA sortase from Actinomyces oris | | 分子名称: | CHLORIDE ION, Sortase | | 著者 | Osipiuk, J, Ma, X, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2017-02-15 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Cell-to-cell interaction requires optimal positioning of a pilus tip adhesin modulated by gram-positive transpeptidase enzymes.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
7COM
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | | 分子名称: | 3C-like proteinase, boceprevir (bound form) | | 著者 | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | | 登録日 | 2020-08-04 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
|
|
2ESW
 | |
2ABJ
 | | Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, C16H10N2O4F3SCl, and pyridoxal 5' phosphate. | | 分子名称: | Branched-chain-amino-acid aminotransferase, cytosolic, N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE, ... | | 著者 | Ohren, J.F, Moreland, D.W, Rubin, J.R, Hu, H.L, McConnell, P.C, Mistry, A, Mueller, W.T, Scholten, J.D, Hasemann, C.H. | | 登録日 | 2005-07-15 | | 公開日 | 2006-06-27 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
5DUM
 | | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 65C6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 65C6 Heavy Chain, 65C6 Light Chain, ... | | 著者 | Sun, J, Zuo, T, Wang, G, Zhou, P, Zhang, L, Wang, X. | | 登録日 | 2015-09-19 | | 公開日 | 2015-12-16 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | | 主引用文献 | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
|
|
8XAB
 | |
7C7P
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | | 分子名称: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | | 著者 | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | | 登録日 | 2020-05-26 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
|
|
5DUR
 | | Influenza A virus H5 hemagglutinin globular head in complex with antibody 100F4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Antibody 100F4, Hemagglutinin, ... | | 著者 | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | | 登録日 | 2015-09-20 | | 公開日 | 2015-12-16 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
|
|
5E6H
 | |
3GJW
 | | PARP complexed with A968427 | | 分子名称: | 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one, Poly [ADP-ribose] polymerase 1 | | 著者 | Park, C.H. | | 登録日 | 2009-03-09 | | 公開日 | 2010-03-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis and SAR of novel tricyclic quinoxalinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1)
Bioorg.Med.Chem.Lett., 19, 2009
|
|
5XJN
 | | cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate | | 分子名称: | (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Dong, S, Du, L, Li, S, Feng, Y. | | 登録日 | 2017-05-03 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
7E3O
 | |
5XRR
 | | Crystal structure of FUS (54-59) SYSSYG | | 分子名称: | RNA-binding protein FUS, ZINC ION | | 著者 | Zhao, M, Gui, X, Li, D, Liu, C. | | 登録日 | 2017-06-09 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.503 Å) | | 主引用文献 | Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018
|
|
8K98
 | |
