7QNY
 
 | | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D.I. | | 登録日 | 2021-12-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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2JNH
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8D47
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8D48
 | | sd1.040 Fab in complex with SARS-CoV-2 Spike 2P glycoprotein | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, sd1.040 Fab heavy chain, ... | | 著者 | Abernathy, M.E, Barnes, C.O. | | 登録日 | 2022-06-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-03-22 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein.
Sci Immunol, 8, 2023
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7QNW
 | | The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D.I. | | 登録日 | 2021-12-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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7QNX
 | | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D.I. | | 登録日 | 2021-12-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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7NTB
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6TD3
 | | Structure of DDB1 bound to CR8-engaged CDK12-cyclinK | | 分子名称: | (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | | 著者 | Bunker, R.D, Petzold, G, Kozicka, Z, Thoma, N.H. | | 登録日 | 2019-11-07 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.46 Å) | | 主引用文献 | The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K.
Nature, 585, 2020
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2L7W
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6SZM
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2019-10-02 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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5ZBQ
 | | The Crystal Structure of human neuropeptide Y Y1 receptor with UR-MK299 | | 分子名称: | Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide | | 著者 | Yang, Z, Han, S, Zhao, Q, Wu, B. | | 登録日 | 2018-02-12 | | 公開日 | 2018-04-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
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5ZBH
 | | The Crystal Structure of Human Neuropeptide Y Y1 Receptor with BMS-193885 | | 分子名称: | Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | | 著者 | Yang, Z, Han, S, Zhao, Q, Wu, B. | | 登録日 | 2018-02-11 | | 公開日 | 2018-04-25 | | 最終更新日 | 2018-05-09 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
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6FSK
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6Z0O
 | | Structure of Affimer-NP bound to Crimean-Congo Haemorrhagic Fever Virus Nucleocapsid Protein | | 分子名称: | Affimer-NP, Nucleocapsid | | 著者 | Alvarez-Rodriguez, B, Tiede, C, Trinh, C, Tomlinson, D, Edwards, T.A, Barr, J.N. | | 登録日 | 2020-05-10 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5974 Å) | | 主引用文献 | Characterization and applications of a Crimean-Congo hemorrhagic fever virus nucleoprotein-specific Affimer: Inhibitory effects in viral replication and development of colorimetric diagnostic tests.
Plos Negl Trop Dis, 14, 2020
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6UC5
 | | Fab397 in complex with NPNA peptide | | 分子名称: | Fab397 heavy chain, Fab397 light chain, NPNA peptide | | 著者 | Pholcharee, T, Oyen, D, Wilson, I.A. | | 登録日 | 2019-09-13 | | 公開日 | 2020-01-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Diverse Antibody Responses to Conserved Structural Motifs in Plasmodium falciparum Circumsporozoite Protein.
J.Mol.Biol., 432, 2020
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8QCD
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE | | 分子名称: | 1,2-ETHANEDIOL, 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Casein kinase II subunit alpha' | | 著者 | Werner, C, Niefind, K. | | 登録日 | 2023-08-25 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
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8QBU
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR CX-4945 AND THE ALPHA-D-POCKET LIGAND 3,4-DICHLORO PHENETHYLAMINE (DPA) | | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, ... | | 著者 | Werner, C, Niefind, K. | | 登録日 | 2023-08-25 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
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6YQH
 | | GH146 beta-L-arabinofuranosidase bound to covalent inhibitor | | 分子名称: | (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl-CoA carboxylase, ... | | 著者 | McGregor, N.G.S, Davies, G.J. | | 登録日 | 2020-04-17 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6Y4L
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6Z3W
 | | Human ER membrane protein complex | | 分子名称: | ER membrane protein complex subunit 1,ER membrane protein complex subunit 1,ER membrane protein complex subunit 1,ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ER membrane protein complex subunit 2, ... | | 著者 | Hegde, R.S, O'Donnell, J.P. | | 登録日 | 2020-05-22 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (6.4 Å) | | 主引用文献 | The architecture of EMC reveals a path for membrane protein insertion.
Elife, 9, 2020
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8BOG
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 7 | | 分子名称: | Ephrin type-A receptor 2, ~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BOM
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 14 | | 分子名称: | Ephrin type-A receptor 2, ~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BOH
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 8 | | 分子名称: | 4-methyl-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BOD
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 20 | | 分子名称: | Ephrin type-A receptor 2, ~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BOI
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 9 | | 分子名称: | 4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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