4FQH
 
 | | Crystal Structure of Fab CR9114 | | 分子名称: | 1,2-ETHANEDIOL, NITRATE ION, antibody CR9114 heavy chain, ... | | 著者 | Dreyfus, C, Wilson, I.A. | | 登録日 | 2012-06-25 | | 公開日 | 2012-08-22 | | 最終更新日 | 2018-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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4FQK
 | | Influenza B/Brisbane/60/2008 hemagglutinin Fab CR8059 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody CR8059 Heavy Chain, ... | | 著者 | Dreyfus, C, Laursen, N.S, Wilson, I.A. | | 登録日 | 2012-06-25 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (5.65 Å) | | 主引用文献 | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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8JZS
 | | Outward-facing SLC15A4 dimer | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, lysosomal transporter | | 著者 | Zhang, S.S, Chen, X.D, Xie, M. | | 登録日 | 2023-07-06 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | | 主引用文献 | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
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8JZU
 | | SLC15A4_TASL complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TLR adapter,Green fluorescent protein, TSLAA-EGPF tag fusion protein | | 著者 | Zhang, S.S, Chen, X.D, Xie, M. | | 登録日 | 2023-07-06 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
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8JZR
 | | Outward_facing SLC15A4 monomer | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, lysosomal transporter,ALFA tag | | 著者 | Zhang, S.S, Chen, X.D, Xie, M. | | 登録日 | 2023-07-06 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
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6LF5
 | | The solution structure of ShSPI | | 分子名称: | ShSPI | | 著者 | Luan, N, Rong, M.Q, Liu, J.X, Lai, R. | | 登録日 | 2019-11-29 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Identification and Characterization of ShSPI, a Kazal-Type Elastase Inhibitor from the Venom of Scolopendra Hainanum .
Toxins, 11, 2019
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5ZV7
 | | P domain of GII.17-2014/15 complexed with B-trisaccharide | | 分子名称: | VP1, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose | | 著者 | Chen, Y, Li, X. | | 登録日 | 2018-05-09 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural Adaptations of Norovirus GII.17/13/21 Lineage through Two Distinct Evolutionary Paths.
J. Virol., 93, 2019
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5ZVC
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5ZV9
 | | P domain of GII.13 norovirus capsid | | 分子名称: | GLYCEROL, Major capsid protein VP1 | | 著者 | Chen, Y, Li, X. | | 登録日 | 2018-05-09 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Adaptations of Norovirus GII.17/13/21 Lineage through Two Distinct Evolutionary Paths.
J. Virol., 93, 2019
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5ZUQ
 | | P domain of GII.17-1978 | | 分子名称: | VP1 | | 著者 | Chen, Y, Li, X. | | 登録日 | 2018-05-08 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural Adaptations of Norovirus GII.17/13/21 Lineage through Two Distinct Evolutionary Paths.
J. Virol., 93, 2019
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5ZUS
 | | P domain of GII.17-2014/15 | | 分子名称: | VP1 | | 著者 | Chen, Y, Li, X. | | 登録日 | 2018-05-08 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Adaptations of Norovirus GII.17/13/21 Lineage through Two Distinct Evolutionary Paths.
J. Virol., 93, 2019
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5ZV5
 | | P domain of GII.17-2014/15 complexed with A-trisaccharide | | 分子名称: | VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose | | 著者 | Chen, Y, Li, X. | | 登録日 | 2018-05-09 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Adaptations of Norovirus GII.17/13/21 Lineage through Two Distinct Evolutionary Paths.
J. Virol., 93, 2019
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6LRL
 | | Human cGAS catalytic domain bound with compound s2 | | 分子名称: | 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | 登録日 | 2020-01-16 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.655 Å) | | 主引用文献 | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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6LRJ
 | | Human cGAS catalytic domain bound with compound 23 | | 分子名称: | 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | 登録日 | 2020-01-16 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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7N4S
 | | Bruton's tyrosine kinase in complex with compound 65 | | 分子名称: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4R
 | | Bruton's tyrosine kinase in complex with compound 21 | | 分子名称: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4Q
 | | Bruton's tyrosine kinase in complex with compound 45 | | 分子名称: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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5ZUG
 | | Structure of the bacterial acetate channel SatP | | 分子名称: | Succinate-acetate/proton symporter SatP, nonyl beta-D-glucopyranoside | | 著者 | Sun, P.C, Li, J.L, Xiao, Q.J, Guan, Z.Y, Deng, D. | | 登録日 | 2018-05-07 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | | 主引用文献 | Crystal structure of the bacterial acetate transporter SatP reveals that it forms a hexameric channel.
J. Biol. Chem., 293, 2018
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7O70
 | | KRasG12C ligand complex | | 分子名称: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ... | | 著者 | Phillips, C. | | 登録日 | 2021-04-12 | | 公開日 | 2022-04-20 | | 最終更新日 | 2022-05-25 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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7O83
 | | KRasG12C ligand complex | | 分子名称: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Phillips, C, Breed, J. | | 登録日 | 2021-04-14 | | 公開日 | 2022-04-20 | | 最終更新日 | 2022-05-25 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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6LRI
 | | Human cGAS catalytic domain bound with compound 17 | | 分子名称: | 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | 登録日 | 2020-01-16 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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6LRE
 | | Human cGAS catalytic domain bound with compound 3 | | 分子名称: | 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | 登録日 | 2020-01-16 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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6LRK
 | | Human cGAS catalytic domain bound with compound 40 | | 分子名称: | (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | 登録日 | 2020-01-16 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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4R8W
 | | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a neutralizing antibody CT149 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of neutralizing antibody CT149, Hemagglutinin, ... | | 著者 | Wu, Y, Shi, Y, Qi, J, Gao, G.F. | | 登録日 | 2014-09-03 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.795 Å) | | 主引用文献 | A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus
Nat Commun, 6, 2015
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4UBD
 | | Crystal structure of a neutralizing human monoclonal antibody with 1968 H3 HA | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | 著者 | Shore, D.A, Yang, H, Cho, M, Donis, R.O, Stevens, J. | | 登録日 | 2014-08-12 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus.
Nat Commun, 6, 2015
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