8D1Y
 
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8D1P
 | | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 7-Deaza-2'-C-methyladenosine | | 分子名称: | 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Chaperone DnaK, SULFATE ION | | 著者 | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | | 登録日 | 2022-05-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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8D24
 | | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with VER155008 | | 分子名称: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Chaperone DnaK, SULFATE ION | | 著者 | Mrozek, A, Park, H.W. | | 登録日 | 2022-05-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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8D20
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8D1S
 | | Crystal structure of Plasmodium falciparum GRP78 in complex with Toyocamycin | | 分子名称: | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Chaperone DnaK, SULFATE ION | | 著者 | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | | 登録日 | 2022-05-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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8D1Q
 | | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 8-Aminoadenosine | | 分子名称: | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Chaperone DnaK, SULFATE ION | | 著者 | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | | 登録日 | 2022-05-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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8D22
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3KKI
 | | PLP-Dependent Acyl-CoA transferase CqsA | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CAI-1 autoinducer synthase, MAGNESIUM ION, ... | | 著者 | Kelly, R.C, Jeffrey, P.D, Hughson, F.M. | | 登録日 | 2009-11-05 | | 公開日 | 2009-11-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Vibrio cholerae quorum-sensing autoinducer CAI-1: analysis of the biosynthetic enzyme CqsA.
Nat.Chem.Biol., 5, 2009
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8DBY
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3J3O
 | | Conformational Shift of a Major Poliovirus Antigen Confirmed by Immuno-Cryogenic Electron Microscopy: 160S Poliovirus and C3-Fab Complex | | 分子名称: | C3 antibody, heavy chain, light chain, ... | | 著者 | Lin, J, Cheng, N, Hogle, J.M, Steven, A.C, Belnap, D.M. | | 登録日 | 2013-04-10 | | 公開日 | 2013-07-03 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (11.1 Å) | | 主引用文献 | Conformational shift of a major poliovirus antigen confirmed by immuno-cryogenic electron microscopy.
J.Immunol., 191, 2013
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8CYZ
 | | Crystal structure of SARS-CoV-2 Mpro with compound C4 | | 分子名称: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide | | 著者 | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | 登録日 | 2022-05-24 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CZ7
 | | Crystal structure of SARS-CoV-2 Mpro with compound C2 | | 分子名称: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide | | 著者 | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | 登録日 | 2022-05-24 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CYU
 | | Crystal structure of SARS-CoV-2 Mpro with compound C5 | | 分子名称: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide | | 著者 | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | 登録日 | 2022-05-24 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CZ4
 | | Crystal structure of SARS-CoV-2 Mpro with compound C3 | | 分子名称: | 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide | | 著者 | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | 登録日 | 2022-05-24 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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3K37
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8DS5
 | | X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex | | 分子名称: | CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ... | | 著者 | Fischmann, T.O. | | 登録日 | 2022-07-21 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.926 Å) | | 主引用文献 | Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy.
J Immunother Cancer, 10, 2022
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6N2K
 | | Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | | 分子名称: | 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Vigers, G.P. | | 登録日 | 2018-11-13 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity.
ACS Med Chem Lett, 9, 2018
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8DWH
 | | CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16 | | 分子名称: | Gs-mini-Gq chimera, 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 | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | | 登録日 | 2022-08-01 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-04-12 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
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3KGU
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8DWG
 | | CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382 | | 分子名称: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | | 登録日 | 2022-08-01 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-04-12 | | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | | 主引用文献 | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
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8DWC
 | | CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | | 分子名称: | Gs-mini-Gq chimera, 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 | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | | 登録日 | 2022-08-01 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-04-12 | | 実験手法 | ELECTRON MICROSCOPY (2.87 Å) | | 主引用文献 | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
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8DU3
 | | Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine, Adenosine receptor A2a, ... | | 著者 | Shiriaeva, A, Stauch, B, Han, G.W, Cherezov, V. | | 登録日 | 2022-07-26 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | High ligand efficiency quinazoline compounds as novel A 2A adenosine receptor antagonists.
Eur.J.Med.Chem., 241, 2022
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3KGT
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8E1X
 | | FGFR2 kinase domain in complex with a Pyrazolo[1,5-a]pyrimidine analog (Compound 29) | | 分子名称: | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide, Fibroblast growth factor receptor 2 | | 著者 | Lei, H.-T, Epling, L.B, Deller, M.C. | | 登録日 | 2022-08-11 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Discovery of Potent and Selective Inhibitors of Wild-Type and Gatekeeper Mutant Fibroblast Growth Factor Receptor (FGFR) 2/3.
J.Med.Chem., 65, 2022
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6MZI
 | | CryoEM structure of human enterovirus D68 expanded 1 particle (pH 6.5, 4 degrees Celsius, 3 min) | | 分子名称: | viral protein 1, viral protein 2, viral protein 3, ... | | 著者 | Liu, Y, Rossmann, M.G. | | 登録日 | 2018-11-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | | 主引用文献 | Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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