7X31
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7WK0
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![BU of 7wk0 by Molmil](/molmil-images/mine/7wk0) | Local refine of Omicron spike bitrimer with 6m6 antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ... | 著者 | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | 登録日 | 2022-01-08 | 公開日 | 2022-07-13 | 最終更新日 | 2022-09-14 | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | 主引用文献 | A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding. Cell Res., 32, 2022
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7WJS
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![BU of 7wjs by Molmil](/molmil-images/mine/7wjs) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 | 分子名称: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-07 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WKY
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![BU of 7wky by Molmil](/molmil-images/mine/7wky) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 | 分子名称: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-12 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMU
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![BU of 7wmu by Molmil](/molmil-images/mine/7wmu) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 | 分子名称: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-17 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNI
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![BU of 7wni by Molmil](/molmil-images/mine/7wni) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 | 分子名称: | 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-18 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WN5
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![BU of 7wn5 by Molmil](/molmil-images/mine/7wn5) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | 分子名称: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-17 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WLN
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![BU of 7wln by Molmil](/molmil-images/mine/7wln) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | 分子名称: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-13 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNA
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![BU of 7wna by Molmil](/molmil-images/mine/7wna) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-17 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMQ
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![BU of 7wmq by Molmil](/molmil-images/mine/7wmq) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | 分子名称: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-16 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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5YGU
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![BU of 5ygu by Molmil](/molmil-images/mine/5ygu) | Crystal structure of Escherichia coli (strain K12) mRNA Decapping Complex RppH-DapF | 分子名称: | Diaminopimelate epimerase, IODIDE ION, L(+)-TARTARIC ACID, ... | 著者 | Wang, Q, Guan, Z.Y, Zhang, D.L, Zou, T.T, Yin, P. | 登録日 | 2017-09-27 | 公開日 | 2018-06-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.298 Å) | 主引用文献 | DapF stabilizes the substrate-favoring conformation of RppH to stimulate its RNA-pyrophosphohydrolase activity in Escherichia coli. Nucleic Acids Res., 46, 2018
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7WJY
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![BU of 7wjy by Molmil](/molmil-images/mine/7wjy) | Omicron spike trimer with 6m6 antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ... | 著者 | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | 登録日 | 2022-01-08 | 公開日 | 2022-07-13 | 最終更新日 | 2022-09-14 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding. Cell Res., 32, 2022
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7WJZ
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![BU of 7wjz by Molmil](/molmil-images/mine/7wjz) | Omicron Spike bitrimer with 6m6 antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ... | 著者 | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | 登録日 | 2022-01-08 | 公開日 | 2022-07-13 | 最終更新日 | 2022-09-14 | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | 主引用文献 | A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding. Cell Res., 32, 2022
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5Z7L
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![BU of 5z7l by Molmil](/molmil-images/mine/5z7l) | Crystal structure of NDP52 SKICH region in complex with NAP1 | 分子名称: | 5-azacytidine-induced protein 2, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL | 著者 | Fu, T, Pan, L.F. | 登録日 | 2018-01-29 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1 Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2HGK
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![BU of 2hgk by Molmil](/molmil-images/mine/2hgk) | Solution NMR Structure of protein YqcC from E. coli: Northeast Structural Genomics Consortium target ER225 | 分子名称: | Hypothetical protein yqcC | 著者 | Cort, J.R, Wang, D, Shetty, K, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2006-06-27 | 公開日 | 2007-06-05 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of protein YqcC from E.coli To be Published
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5ZKQ
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![BU of 5zkq by Molmil](/molmil-images/mine/5zkq) | Crystal structure of the human platelet-activating factor receptor in complex with ABT-491 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, ... | 著者 | Cao, C, Zhao, Q, Zhang, X.C, Wu, B. | 登録日 | 2018-03-25 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for signal recognition and transduction by platelet-activating-factor receptor. Nat. Struct. Mol. Biol., 25, 2018
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5ZKP
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![BU of 5zkp by Molmil](/molmil-images/mine/5zkp) | Crystal structure of the human platelet-activating factor receptor in complex with SR 27417 | 分子名称: | FLAVIN MONONUCLEOTIDE, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor | 著者 | Cao, C, Zhao, Q, Zhang, X.C, Wu, B. | 登録日 | 2018-03-25 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Structural basis for signal recognition and transduction by platelet-activating-factor receptor. Nat. Struct. Mol. Biol., 25, 2018
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5ZUX
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5ZUZ
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7V6G
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![BU of 7v6g by Molmil](/molmil-images/mine/7v6g) | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase mutation C157S with CN39 | 分子名称: | 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION, ... | 著者 | Cao, H, Huang, Y, Chen, H, Wan, C, Ren, Y, Wan, J. | 登録日 | 2021-08-20 | 公開日 | 2022-02-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.343 Å) | 主引用文献 | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem., 65, 2022
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7V6F
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![BU of 7v6f by Molmil](/molmil-images/mine/7v6f) | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P | 分子名称: | Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION | 著者 | Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J. | 登録日 | 2021-08-20 | 公開日 | 2022-02-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem., 65, 2022
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1ZGC
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![BU of 1zgc by Molmil](/molmil-images/mine/1zgc) | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor. | 分子名称: | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | 著者 | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | 登録日 | 2005-04-21 | 公開日 | 2005-08-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005
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2NWB
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![BU of 2nwb by Molmil](/molmil-images/mine/2nwb) | Crystal Structure of a Putative 2,3-dioxygenase (SO4414) from Shewanella oneidensis in complex with ferric heme. Northeast Structural Genomics Target SoR52. | 分子名称: | Conserved domain protein, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Seetharaman, J, Bruckmann, C, Thackray, S.J, Khan, N, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Ma, L.C, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2006-11-14 | 公開日 | 2006-12-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2NV4
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![BU of 2nv4 by Molmil](/molmil-images/mine/2nv4) | Crystal structure of UPF0066 protein AF0241 in complex with S-adenosylmethionine. Northeast Structural Genomics Consortium target GR27 | 分子名称: | ACETATE ION, S-ADENOSYLMETHIONINE, UPF0066 protein AF_0241 | 著者 | Kuzin, A.P, Abashidze, M, Seetharaman, J, Vorobiev, S.M, Fang, Y, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2006-11-10 | 公開日 | 2006-11-21 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Functional insights from structural genomics. J.Struct.Funct.Genom., 8, 2007
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1ZGB
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![BU of 1zgb by Molmil](/molmil-images/mine/1zgb) | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. | 分子名称: | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | 著者 | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | 登録日 | 2005-04-21 | 公開日 | 2005-08-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005
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