7DCX
 
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7DK6
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7DD8
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7DK5
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7DCC
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7DK0
 | | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ... | | 著者 | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | | 登録日 | 2020-11-22 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.199 Å) | | 主引用文献 | Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
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7DJZ
 | | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ... | | 著者 | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | | 登録日 | 2020-11-22 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.397 Å) | | 主引用文献 | Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
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4W5S
 | | Tankyrase in complex with compound | | 分子名称: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | | 著者 | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | | 登録日 | 2014-08-18 | | 公開日 | 2015-05-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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6Z45
 | | CDK9-Cyclin-T1 complex bound by compound 24 | | 分子名称: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | | 著者 | Ferguson, A, Collie, G.W. | | 登録日 | 2020-05-22 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.37 Å) | | 主引用文献 | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
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6Y4M
 | | Structure of Tubulin Tyrosine Ligase in Complex with Tb111 | | 分子名称: | (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | | 登録日 | 2020-02-21 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
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6Y4N
 | | Structure of Tubulin Tyrosine Ligase in Complex with Tb116 | | 分子名称: | (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | | 登録日 | 2020-02-21 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.852 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
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7LTZ
 | | Bruton's tyrosine kinase in complex with compound 51 | | 分子名称: | 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-02-20 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
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7LTY
 | | Bruton's tyrosine kinase in complex with compound 23 | | 分子名称: | DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-02-20 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
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6LRX
 | | Marsupenaeus japonicus ferritin mutant(T158H) | | 分子名称: | FE (III) ION, Ferritin, NICKEL (II) ION | | 著者 | Zhao, G, Tan, X. | | 登録日 | 2020-01-16 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking.
Commun Chem, 2020
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6LS2
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6LRW
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7DPM
 | | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | | 著者 | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | | 登録日 | 2020-12-20 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.304 Å) | | 主引用文献 | Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV.
Mabs, 13, 2021
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4W6E
 | | Human Tankyrase 1 with small molecule inhibitor | | 分子名称: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | | 著者 | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | | 登録日 | 2014-08-20 | | 公開日 | 2015-05-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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7NWK
 | | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | | 分子名称: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | | 著者 | Collie, G.W, Ferguson, A.D. | | 登録日 | 2021-03-16 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement.
J.Med.Chem., 64, 2021
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6OKM
 | | Human OX40R (TNFRSF4) bound to Fab 3C8 | | 分子名称: | Fab 3C8 Heavy Chain, Fab 3C8 light chain, Tumor necrosis factor receptor superfamily member 4 | | 著者 | Boenig, G, Ultsch, M.H, Harris, S.F. | | 登録日 | 2019-04-14 | | 公開日 | 2019-08-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
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6OKN
 | | OX40R (TNFRSF4) bound to Fab 1A7 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab 1A7 heavy chain, Fab 1A7 light chain, ... | | 著者 | Ultsch, M.H, Boenig, G, Harris, S.F. | | 登録日 | 2019-04-14 | | 公開日 | 2019-07-10 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
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7DDN
 | | SARS-Cov2 S protein at open state | | 分子名称: | Spike glycoprotein | | 著者 | Cong, Y, Liu, C.X. | | 登録日 | 2020-10-29 | | 公開日 | 2020-11-25 | | 最終更新日 | 2021-01-27 | | 実験手法 | ELECTRON MICROSCOPY (6.3 Å) | | 主引用文献 | Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
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7DD2
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7DK4
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7X9E
 | | Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide | | 分子名称: | 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide | | 著者 | Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B. | | 登録日 | 2022-03-15 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2.
Nat Microbiol, 7, 2022
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