8WGW
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![BU of 8wgw by Molmil](/molmil-images/mine/8wgw) | Local refinement of RBD-ACE2 | 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, Angiotensin-converting enzyme 2, ... | 著者 | Wei, X, Zhang, Z. | 登録日 | 2023-09-22 | 公開日 | 2024-02-28 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis. Nat.Immunol., 25, 2024
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8XQS
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![BU of 8xqs by Molmil](/molmil-images/mine/8xqs) | Structure of human class T GPCR TAS2R14-DNGi complex with Flufenamic acid. | 分子名称: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ... | 著者 | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | 登録日 | 2024-01-05 | 公開日 | 2024-07-10 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol. Nature, 631, 2024
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2IFT
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![BU of 2ift by Molmil](/molmil-images/mine/2ift) | Crystal structure of putative methylase HI0767 from Haemophilus influenzae. NESG target IR102. | 分子名称: | Putative methylase HI0767 | 著者 | Vorobiev, S.M, Su, M, Seetharaman, J, Shastry, R, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2006-09-21 | 公開日 | 2006-10-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the putative methylase HI0767 from Haemophilus influenzae. To be Published
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8IM1
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![BU of 8im1 by Molmil](/molmil-images/mine/8im1) | mCherry-LaM1 complex | 分子名称: | LaM1, MCherry fluorescent protein, SULFATE ION | 著者 | Liang, H, Liu, R, Ding, Y. | 登録日 | 2023-03-05 | 公開日 | 2023-06-21 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies. Int J Mol Sci, 24, 2023
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8ILX
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![BU of 8ilx by Molmil](/molmil-images/mine/8ilx) | mCherry-LaM3 complex | 分子名称: | LAM3, MCherry fluorescent protein | 著者 | Liang, H, Liu, R, Ding, Y. | 登録日 | 2023-03-05 | 公開日 | 2023-06-21 | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | 主引用文献 | Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies. Int J Mol Sci, 24, 2023
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6IUP
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![BU of 6iup by Molmil](/molmil-images/mine/6iup) | Crystal structure of FGFR4 kinase domain in complex with compound 5 | 分子名称: | DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide | 著者 | Xu, Y, Liu, Q. | 登録日 | 2018-11-29 | 公開日 | 2019-11-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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6PKA
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6PMD
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8WWP
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![BU of 8wwp by Molmil](/molmil-images/mine/8wwp) | PNPase mutant of Mycobacterium tuberculosis | 分子名称: | Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase | 著者 | Wang, N, Sheng, Y.N, Liu, Y.T. | 登録日 | 2023-10-26 | 公開日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation. Arch.Biochem.Biophys., 754, 2024
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8WXF
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![BU of 8wxf by Molmil](/molmil-images/mine/8wxf) | PNPase of Mycobacterium tuberculosis | 分子名称: | Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase | 著者 | Wang, N, Sheng, Y.N, Liu, Y.T. | 登録日 | 2023-10-29 | 公開日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation. Arch.Biochem.Biophys., 754, 2024
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8AHH
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8AHG
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8AHE
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![BU of 8ahe by Molmil](/molmil-images/mine/8ahe) | PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | 分子名称: | SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide | 著者 | Baker, L.M, Murray, J.B, Hubbard, R.E. | 登録日 | 2022-07-21 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | 主引用文献 | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
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8AHI
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8AHF
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![BU of 8ahf by Molmil](/molmil-images/mine/8ahf) | PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | 分子名称: | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase | 著者 | Baker, L.M, Murray, J.B, Hubbard, R.E. | 登録日 | 2022-07-21 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.271 Å) | 主引用文献 | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
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6PWB
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![BU of 6pwb by Molmil](/molmil-images/mine/6pwb) | Rigid body fitting of flagellin FlaB, and flagellar coiling proteins, FcpA and FcpB, into a 10 Angstrom structure of the asymmetric flagellar filament purified from Leptospira biflexa Patoc WT cells resolved via subtomogram averaging | 分子名称: | Flagellar coiling protein A (FcpA), Flagellar coiling protein B (FcpB), Flagellin B1 (FlaB1) | 著者 | Gibson, K.H, Sindelar, C.V, Trajtenberg, F, Buschiazzo, A, San Martin, F, Mechaly, A. | 登録日 | 2019-07-22 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (9.83 Å) | 主引用文献 | An asymmetric sheath controls flagellar supercoiling and motility in the leptospira spirochete. Elife, 9, 2020
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1NFD
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![BU of 1nfd by Molmil](/molmil-images/mine/1nfd) | AN ALPHA-BETA T CELL RECEPTOR (TCR) HETERODIMER IN COMPLEX WITH AN ANTI-TCR FAB FRAGMENT DERIVED FROM A MITOGENIC ANTIBODY | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H57 FAB, N15 ALPHA-BETA T-CELL RECEPTOR | 著者 | Wang, J.-H, Lim, K, Smolyar, A, Teng, M.-K, Sacchittini, J, Reinherz, E.L. | 登録日 | 1997-08-04 | 公開日 | 1998-01-28 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Atomic structure of an alphabeta T cell receptor (TCR) heterodimer in complex with an anti-TCR fab fragment derived from a mitogenic antibody. EMBO J., 17, 1998
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6J6M
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![BU of 6j6m by Molmil](/molmil-images/mine/6j6m) | Co-crystal structure of BTK kinase domain with Zanubrutinib | 分子名称: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | 著者 | Zhou, X, Hong, Y. | 登録日 | 2019-01-15 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 62, 2019
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6IUO
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![BU of 6iuo by Molmil](/molmil-images/mine/6iuo) | Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | 分子名称: | Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | 著者 | Xu, Y, Liu, Q. | 登録日 | 2018-11-29 | 公開日 | 2019-10-23 | 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 Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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8WX0
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![BU of 8wx0 by Molmil](/molmil-images/mine/8wx0) | PNPase of M.tuberculosis with its RNA substrate | 分子名称: | Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase, RNA (24-mer) | 著者 | Wang, N, Sheng, Y.N. | 登録日 | 2023-10-27 | 公開日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation. Arch.Biochem.Biophys., 754, 2024
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6ITJ
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![BU of 6itj by Molmil](/molmil-images/mine/6itj) | Crystal structure of FGFR1 kinase domain in complex with compound 3 | 分子名称: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | 著者 | Xu, Y, Liu, Q. | 登録日 | 2018-11-23 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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8X6B
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![BU of 8x6b by Molmil](/molmil-images/mine/8x6b) | Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG | 著者 | Hu, S.T, Han, P, Wang, H, Qi, J.X. | 登録日 | 2023-11-21 | 公開日 | 2024-04-24 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2. Structure, 32, 2024
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6WJ5
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![BU of 6wj5 by Molmil](/molmil-images/mine/6wj5) | Structure of human TRPA1 in complex with inhibitor GDC-0334 | 分子名称: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | 著者 | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | 登録日 | 2020-04-11 | 公開日 | 2021-02-17 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment. J.Exp.Med., 218, 2021
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7T7L
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![BU of 7t7l by Molmil](/molmil-images/mine/7t7l) | Structure of human G9a SET-domain (EHMT2) in complex with covalent inhibitor (Compound 1) | 分子名称: | Histone-lysine N-methyltransferase EHMT2, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide, ... | 著者 | Park, K.-S, Kumar, P. | 登録日 | 2021-12-15 | 公開日 | 2022-07-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of the First-in-Class G9a/GLP Covalent Inhibitors. J.Med.Chem., 65, 2022
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7T7M
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![BU of 7t7m by Molmil](/molmil-images/mine/7t7m) | Structure of human GLP SET-domain (EHMT1) in complex with covalent inhibitor (Compound 1) | 分子名称: | Histone-lysine N-methyltransferase EHMT1, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide, ... | 著者 | Park, K.-S, Kumar, P. | 登録日 | 2021-12-15 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery of the First-in-Class G9a/GLP Covalent Inhibitors. J.Med.Chem., 65, 2022
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