6A7A
 
 | | AKR1C1 complexed with new inhibitor with novel scaffold | | 分子名称: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | 登録日 | 2018-07-02 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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2QTF
 | | Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus | | 分子名称: | ACETATE ION, CADMIUM ION, GTP-binding protein, ... | | 著者 | Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J. | | 登録日 | 2007-08-02 | | 公開日 | 2008-08-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
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2QTH
 | | Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus in complex with GDP | | 分子名称: | ACETATE ION, CADMIUM ION, GTP-binding protein, ... | | 著者 | Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J. | | 登録日 | 2007-08-02 | | 公開日 | 2008-08-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
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4GJT
 | | complex structure of nectin-4 bound to MV-H | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein, Poliovirus receptor-related protein 4 | | 著者 | Zhang, X, Lu, G, Qi, J, Li, Y, He, Y, Xu, X, Shi, J, Zhang, C, Yan, J, Gao, G.F. | | 登録日 | 2012-08-10 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.1001 Å) | | 主引用文献 | Structure of measles virus hemagglutinin bound to its epithelial receptor nectin-4
Nat.Struct.Mol.Biol., 20, 2013
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2EXX
 | | Crystal structure of HSCARG from Homo sapiens in complex with NADP | | 分子名称: | GLYCEROL, HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Dai, X, Chen, Q, Yao, D, Liang, Y, Dong, Y, Gu, X, Zheng, X, Luo, M. | | 登録日 | 2005-11-09 | | 公開日 | 2006-11-21 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Restructuring of the dinucleotide-binding fold in an NADP(H) sensor protein.
Proc.Natl.Acad.Sci.USA, 104, 2007
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5Y0Y
 | | RVFV GN-AU | | 分子名称: | GOLD ION, NSmGnGc | | 著者 | Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F. | | 登録日 | 2017-07-19 | | 公開日 | 2017-09-13 | | 最終更新日 | 2017-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.398 Å) | | 主引用文献 | Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5Y11
 | | SFTSV GN with neutralizing antibody MAb4-5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAb 4-5 heavy chain, MAb 4-5 light chain, ... | | 著者 | Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F. | | 登録日 | 2017-07-19 | | 公開日 | 2017-09-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5Y0W
 | | The structure of RVFV Gn head domain | | 分子名称: | NSmGnGc | | 著者 | Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F. | | 登録日 | 2017-07-19 | | 公開日 | 2017-09-13 | | 最終更新日 | 2017-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6A3N
 | | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 | | 分子名称: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B. | | 登録日 | 2018-06-15 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
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6ASG
 | | Crystal structure of Thermus thermophilus RNA polymerase core enzyme | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Liu, Y, Lin, W, Ying, R, Ebright, R.H. | | 登録日 | 2017-08-24 | | 公開日 | 2018-04-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
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6IJX
 | | Crystal Structure of AKR1C1 complexed with meclofenamic acid | | 分子名称: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | | 登録日 | 2018-10-12 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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5Y10
 | | SFTSV Gn head domain | | 分子名称: | Membrane glycoprotein polyprotein, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F. | | 登録日 | 2017-07-19 | | 公開日 | 2017-09-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6J1L
 | | Crystal Structure Analysis of the ROR gamma(C455E) | | 分子名称: | 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma | | 著者 | zhang, Y, Li, C.C, wu, X.S. | | 登録日 | 2018-12-28 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
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6KIN
 | | Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase | | 著者 | Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L. | | 登録日 | 2019-07-19 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.527 Å) | | 主引用文献 | The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
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7S8O
 | | CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | | 分子名称: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | 登録日 | 2021-09-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | | 主引用文献 | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8L
 | | CryoEM structure of Gq-coupled MRGPRX2 with peptide agonist Cortistatin-14 | | 分子名称: | Cortistatin 14, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | 登録日 | 2021-09-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.45 Å) | | 主引用文献 | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8P
 | | CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134 | | 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | 登録日 | 2021-09-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8M
 | | CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14 | | 分子名称: | Cortistatin 14, 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | 登録日 | 2021-09-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.54 Å) | | 主引用文献 | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8N
 | | CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | | 分子名称: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | 登録日 | 2021-09-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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6KKH
 | | Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ... | | 著者 | Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C. | | 登録日 | 2019-07-25 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
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8FY7
 | | SARS-CoV-2 main protease in complex with covalent inhibitor | | 分子名称: | 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | | 著者 | Fried, W, Chen, X.S. | | 登録日 | 2023-01-25 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
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8FY6
 | | SARS-CoV-2 main protease in complex with covalent inhibitor | | 分子名称: | (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Fried, W, Chen, X.S. | | 登録日 | 2023-01-25 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
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8GCM
 | | Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein | | 分子名称: | (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one, 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 | Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J. | | 登録日 | 2023-03-02 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8GCP
 | | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | | 分子名称: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J. | | 登録日 | 2023-03-02 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8GDA
 | | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | | 分子名称: | (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | 著者 | Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S. | | 登録日 | 2023-03-03 | | 公開日 | 2024-01-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
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