7Z0Y
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![BU of 7z0y by Molmil](/molmil-images/mine/7z0y) | THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ... | 著者 | Wibmer, C.K. | 登録日 | 2022-02-23 | 公開日 | 2022-04-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant. Plos Pathog., 18, 2022
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7Z0X
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![BU of 7z0x by Molmil](/molmil-images/mine/7z0x) | THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ... | 著者 | Wibmer, C.K. | 登録日 | 2022-02-23 | 公開日 | 2022-04-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant. Plos Pathog., 18, 2022
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6DBP
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4HKE
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![BU of 4hke by Molmil](/molmil-images/mine/4hke) | Crystal Structure of MoxT of Bacillus anthracis | 分子名称: | Addiction module toxin component PemK, SULFATE ION | 著者 | Verma, S, Kumar, S, Gourinath, S, Bhatnagar, R. | 登録日 | 2012-10-15 | 公開日 | 2013-11-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structural basis of Bacillus anthracis MoxXT disruption and the modulation of MoxT ribonuclease activity by rationally designed peptides. J.Biomol.Struct.Dyn., 33, 2015
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8R8X
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8ELG
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![BU of 8elg by Molmil](/molmil-images/mine/8elg) | |
8ELH
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7AXR
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![BU of 7axr by Molmil](/molmil-images/mine/7axr) | Crystal structure of BRD4(1) bound to the dual BET-HDAC inhibitor LSH24 | 分子名称: | 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Huegle, M. | 登録日 | 2020-11-10 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 4-Acyl Pyrrole Capped HDAC Inhibitors: A New Scaffold for Hybrid Inhibitors of BET Proteins and Histone Deacetylases as Antileukemia Drug Leads. J.Med.Chem., 64, 2021
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7WVL
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8H17
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![BU of 8h17 by Molmil](/molmil-images/mine/8h17) | Crystal structure of the Globin domain of Thermosynechococcus elongatus BP-1 | 分子名称: | IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Tlr1989 protein | 著者 | Mathur, S, Yadav, S.K, Pal, K.R, Kundu, S. | 登録日 | 2022-09-30 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A novel single sensor hemoglobin domain from the thermophilic cyanobacteria Thermosynechococcus elongatus BP-1 exhibits higher pH but lower thermal stability compared to globins from mesophilic organisms. Int.J.Biol.Macromol., 240, 2023
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6VHG
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![BU of 6vhg by Molmil](/molmil-images/mine/6vhg) | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | 分子名称: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ... | 著者 | Lee, C.C, Spraggon, G. | 登録日 | 2020-01-09 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | 主引用文献 | Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma. Acs Med.Chem.Lett., 11, 2020
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6H8R
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![BU of 6h8r by Molmil](/molmil-images/mine/6h8r) | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2 | 分子名称: | 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | 著者 | Hoerer, S, Fiegen, D, Schnapp, G. | 登録日 | 2018-08-03 | 公開日 | 2018-09-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule. J. Med. Chem., 62, 2019
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6H8S
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7MF0
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![BU of 7mf0 by Molmil](/molmil-images/mine/7mf0) | Co-crystal structure of PERK with inhibitor (R)-2-amino-N-cyclopropyl-5-(4-(2-(3,5-difluorophenyl)-2-hydroxyacetamido)-2-methylphenyl)nicotinamide | 分子名称: | 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3 | 著者 | Wiens, B, Koszelak-Rosenblum, M, Surman, M.D, Zhu, G, Mulvihill, M.J. | 登録日 | 2021-04-08 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.809 Å) | 主引用文献 | Discovery of 2-amino-3-amido-5-aryl-pyridines as highly potent, orally bioavailable, and efficacious PERK kinase inhibitors. Bioorg.Med.Chem.Lett., 43, 2021
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1X9J
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6JHU
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![BU of 6jhu by Molmil](/molmil-images/mine/6jhu) | Crystal Structure Of Biotin Protein Ligase From Leishmania Major in complex with Biotinyl-5-AMP | 分子名称: | BIOTINYL-5-AMP, Biotin/lipoate protein ligase-like protein, SULFATE ION | 著者 | Rajak, M, Patel, A, Sundd, M. | 登録日 | 2019-02-19 | 公開日 | 2020-04-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Leishmania major biotin protein ligase forms a unique cross-handshake dimer Acta Crystallogr.,Sect.D, 77, 2021
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4MKC
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![BU of 4mkc by Molmil](/molmil-images/mine/4mkc) | Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378 | 分子名称: | 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine, ALK tyrosine kinase receptor, GLYCEROL | 著者 | Lee, C.C, Spraggon, G. | 登録日 | 2013-09-04 | 公開日 | 2014-04-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | The ALK Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer. Cancer Discov, 4, 2014
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7RUN
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![BU of 7run by Molmil](/molmil-images/mine/7run) | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor. | 分子名称: | 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret | 著者 | Lee, C.C, Spraggon, G. | 登録日 | 2021-08-17 | 公開日 | 2022-01-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | 主引用文献 | Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors. Acs Med.Chem.Lett., 12, 2021
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5FEQ
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![BU of 5feq by Molmil](/molmil-images/mine/5feq) | EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE | 分子名称: | Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-17 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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5FED
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![BU of 5fed by Molmil](/molmil-images/mine/5fed) | EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. | 分子名称: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-16 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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5FEE
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![BU of 5fee by Molmil](/molmil-images/mine/5fee) | EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. | 分子名称: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-16 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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7DBS
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7F32
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7EUA
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![BU of 7eua by Molmil](/molmil-images/mine/7eua) | X-ray structure of a P93A Monellin mutant | 分子名称: | Monellin, SULFATE ION | 著者 | Manjula, R, Bhatia, S, Jayant, B, Ramaswamy, S, Gosavi, S. | 登録日 | 2021-05-16 | 公開日 | 2021-08-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | X-ray structure of a P93A Monellin mutant To Be Published
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6PYE
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![BU of 6pye by Molmil](/molmil-images/mine/6pye) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NR160 | 分子名称: | 1,2-ETHANEDIOL, Hdac6 protein, N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide, ... | 著者 | Osko, J.D, Christianson, D.W. | 登録日 | 2019-07-29 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.480003 Å) | 主引用文献 | Multicomponent Synthesis, Binding Mode, and Structure-Activity Relationship of Selective Histone Deacetylase 6 (HDAC6) Inhibitors with Bifurcated Capping Groups. J.Med.Chem., 63, 2020
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