4OTQ
 
 | | Crystal structure of BTK kinase domain complexed with 1-[5-[3-(7-tert-butyl-4-oxo-quinazolin-3-yl)-2-methyl-phenyl]-1-methyl-2-oxo-3-pyridyl]-3-methyl-urea | | 分子名称: | 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Kuglstatter, A, Wong, A. | | 登録日 | 2014-02-14 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
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4W63
 | | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR | | 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, Acetylcholinesterase, ... | | 著者 | Pesaresi, A, Samez, S, Lamba, D. | | 登録日 | 2014-08-20 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.
J.Med.Chem., 59, 2016
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6N0Q
 | | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | | 分子名称: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-11-07 | | 公開日 | 2019-10-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
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6N0P
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8GZZ
 | | Local refinement of SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab | | 分子名称: | Spike protein S1, rabbit monoclonal antibody 1H1 Fab heavy chain, rabbit monoclonal antibody 1H1 Fab light chain | | 著者 | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | | 登録日 | 2022-09-27 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | | 主引用文献 | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
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8H01
 | | SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in class 2 conformation | | 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, Spike glycoprotein, ... | | 著者 | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | | 登録日 | 2022-09-27 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
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8H00
 | | SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in the class 1 conformation | | 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, Spike glycoprotein, ... | | 著者 | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | | 登録日 | 2022-09-27 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.41 Å) | | 主引用文献 | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
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8HEC
 | | SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 2 conformation | | 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, Spike glycoprotein, ... | | 著者 | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | | 登録日 | 2022-11-08 | | 公開日 | 2023-04-26 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
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8HED
 | | Local refinement of the SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab | | 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, Spike protein S1, ... | | 著者 | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | | 登録日 | 2022-11-08 | | 公開日 | 2023-04-26 | | 実験手法 | ELECTRON MICROSCOPY (3.59 Å) | | 主引用文献 | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
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8HEB
 | | SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 1 conformation | | 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, Spike glycoprotein, ... | | 著者 | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | | 登録日 | 2022-11-08 | | 公開日 | 2023-04-26 | | 実験手法 | ELECTRON MICROSCOPY (3.53 Å) | | 主引用文献 | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
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8ITU
 | | SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 IgG. | | 分子名称: | 1H1 heavy chain, 1H1 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | | 登録日 | 2023-03-23 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | | 主引用文献 | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
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7EDO
 | | First insight into marsupial MHC I peptide presentation: immune features of lower mammals paralleled with bats | | 分子名称: | Beta-2-microglobulin, CYS-ASN-VAL-THR-LEU-ASN-TYR-PRO, MHC class I antigen | | 著者 | Wang, P.Y, Yue, C, Lu, D, Liu, K.F, Liu, S, Yao, S.J, Chai, Y, Qi, J.X, Lou, Y.L, Sun, Z.Y, Gao, G.F, Liu, W.J. | | 登録日 | 2021-03-16 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Peptide Presentations of Marsupial MHC Class I Visualize Immune Features of Lower Mammals Paralleled with Bats.
J Immunol., 207, 2021
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5VAM
 | | BRAF in Complex with RAF709 | | 分子名称: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2017-03-27 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
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5VAL
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2KV3
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6CEZ
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6J29
 | | The structure of HLA-A*3003/MTB | | 分子名称: | Beta-2-microglobulin, HLA-A*3003, MTB | | 著者 | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J. | | 登録日 | 2018-12-31 | | 公開日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
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6J1V
 | | The structure of HLA-A*3003/RT313 | | 分子名称: | Beta-2-microglobulin, HLA-A*3003, RT313 | | 著者 | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J. | | 登録日 | 2018-12-29 | | 公開日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
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6J2A
 | | The structure of HLA-A*3003/NP44 | | 分子名称: | Beta-2-microglobulin, HLA-A*3003, NP44 | | 著者 | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J. | | 登録日 | 2018-12-31 | | 公開日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
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6J1W
 | | The structure of HLA-A*3001/RT313 | | 分子名称: | ALA-ILE-PHE-GLN-SER-SER-MET-THR-LYS, Beta-2-microglobulin, HLA-A*3001 | | 著者 | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J. | | 登録日 | 2018-12-29 | | 公開日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.501 Å) | | 主引用文献 | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
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6HRT
 | | CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 12-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-9-hydroxy-6-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,11,13-pentaen-5-one | | 分子名称: | (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one, Tyrosine-protein kinase BTK | | 著者 | Kuglstatter, A, Janson, C. | | 登録日 | 2018-09-28 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation.
Bioorg.Med.Chem.Lett., 29, 2019
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6HRP
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1TD9
 | | Crystal Structure of a Phosphotransacetylase from Bacillus subtilis | | 分子名称: | Phosphate acetyltransferase, SULFATE ION | | 著者 | Xu, Q.S, Jancarik, J, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | 登録日 | 2004-05-21 | | 公開日 | 2004-12-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystal structures of a phosphotransacetylase from Bacillus subtilis and its complex with acetyl phosphate
J.STRUCT.FUNCT.GENOM., 6, 2005
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4KJU
 | | Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor. | | 分子名称: | E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION | | 著者 | Lukacs, C.M, Janson, C.A. | | 登録日 | 2013-05-03 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
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4KJV
 | | Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor. | | 分子名称: | 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Lukacs, C.M, Janson, C.A. | | 登録日 | 2013-05-03 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
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