8I30
| Crystal structure of the SARS-CoV-2 main protease in complex with 32j | 分子名称: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | 著者 | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2023-01-16 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease. Eur.J.Med.Chem., 259, 2023
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8HXB
| Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2 | 分子名称: | NFkB inhibitor, T-lymphocyte activation antigen CD86 | 著者 | Wang, Y, Yang, S, Zhao, H, Deng, Z. | 登録日 | 2023-01-04 | 公開日 | 2023-08-30 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2. Nat Commun, 14, 2023
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8HXA
| Cryo-EM structure of MPXV M2 in complex with human B7.1 | 分子名称: | NFkB inhibitor, T-lymphocyte activation antigen CD80 | 著者 | Wang, Y, Yang, S, Zhao, H, Deng, Z. | 登録日 | 2023-01-04 | 公開日 | 2023-08-30 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2. Nat Commun, 14, 2023
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8HXC
| Cryo-EM structure of MPXV M2 heptamer in complex with human B7.2 | 分子名称: | NFkB inhibitor, T-lymphocyte activation antigen CD86 | 著者 | Wang, Y, Yang, S, Zhao, H, Deng, Z. | 登録日 | 2023-01-04 | 公開日 | 2023-08-30 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2. Nat Commun, 14, 2023
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6AL7
| Crystal structure HpiC1 F138S | 分子名称: | 12-epi-hapalindole C/U synthase, CALCIUM ION | 著者 | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | 登録日 | 2017-08-07 | 公開日 | 2018-03-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.687 Å) | 主引用文献 | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6JEQ
| Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with beta-cyclodextrin | 分子名称: | CALCIUM ION, CHLORIDE ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ... | 著者 | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | 登録日 | 2019-02-07 | 公開日 | 2019-02-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii. Acta Crystallogr D Struct Biol, 76, 2020
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5YLL
| Structure of GH113 beta-1,4-mannanase complex with M6. | 分子名称: | beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | 著者 | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | 登録日 | 2017-10-17 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus J. Biol. Chem., 293, 2018
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5YLI
| Complex structure of GH113 beta-1,4-mannanase | 分子名称: | beta-1,4-mannanas, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | 著者 | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | 登録日 | 2017-10-17 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus J. Biol. Chem., 293, 2018
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5YLK
| Complex structure of GH 113 family beta-1,4-mannanase with mannobiose | 分子名称: | beta-1,4-mannanase, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | 著者 | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | 登録日 | 2017-10-17 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase fromn Amphibacillus xylanus J. Biol. Chem., 293, 2018
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5Z4T
| Complex structure - AxMan113A-M3 | 分子名称: | beta-1,4-mannanas, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | 著者 | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | 登録日 | 2018-01-13 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase fromAmphibacillus xylanus J. Biol. Chem., 293, 2018
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8JOP
| Crystal structure of the SARS-CoV-2 main protease in complex with 11a | 分子名称: | 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | 著者 | Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J. | 登録日 | 2023-06-08 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease. Bioorg.Med.Chem.Lett., 92, 2023
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5XWF
| Crystal structure of chitinase (RmChi1) from Rhizomucor miehei (SP3221/SAD) | 分子名称: | Fungal chitinase from Rhizomucor miehei (SeMet-substituted proteins) | 著者 | Jiang, Z.Q, Hu, S.Q, Liu, Y.C, Qin, Z, Yan, Q.J, Yang, S.Q. | 登録日 | 2017-06-29 | 公開日 | 2018-07-04 | 最終更新日 | 2021-08-18 | 実験手法 | X-RAY DIFFRACTION (2.581 Å) | 主引用文献 | Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel. Biochim Biophys Acta Proteins Proteom, 2021
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4K3A
| The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase | 分子名称: | SULFATE ION, glycoside hydrolase family 81 endo-beta-1,3-glucanase | 著者 | Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R. | 登録日 | 2013-04-10 | 公開日 | 2013-10-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The structure of a glycoside hydrolase family 81
endo-[beta]-1,3-glucanase Acta Crystallogr.,Sect.D, 69, 2013
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6J3P
| Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n | 分子名称: | 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2A | 著者 | Huang, L.Y, Li, H, Niu, L, Wu, C.Y, Yu, Y.M, Li, L.L, Yang, S.Y. | 登録日 | 2019-01-05 | 公開日 | 2019-05-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.598 Å) | 主引用文献 | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain. J.Med.Chem., 62, 2019
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6J3O
| Crystal structure of the human PCAF bromodomain in complex with compound 12 | 分子名称: | 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B | 著者 | Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y. | 登録日 | 2019-01-05 | 公開日 | 2019-05-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain. J.Med.Chem., 62, 2019
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5XC2
| Crystal structure of GH family 81 beta-1,3-glucanase from Rhizomucr miehei complexed with laminarihexaose | 分子名称: | Endo-beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | 著者 | Qin, Z, Yang, S, Peng, Z, Yan, Q, Jiang, Z. | 登録日 | 2017-03-22 | 公開日 | 2018-03-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Catalytic mechanism of glycoside hydrolase family 81 beta-1,3-glucanase To Be Published
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6JHI
| Crystal structure of mutant D470A of Pullulanase from Paenibacillus barengoltzii complexed with maltotetraose | 分子名称: | CALCIUM ION, CHLORIDE ION, Pulullanase, ... | 著者 | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | 登録日 | 2019-02-18 | 公開日 | 2019-03-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.319 Å) | 主引用文献 | Crystal structure of mutant D470A of Pullulanase from Paenibacillus barengoltzii complexed with maltotetraose To Be Published
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6JHH
| Crystal structure of mutant D350A of Pullulanase from Paenibacillus barengoltzii complexed with maltotriose | 分子名称: | CALCIUM ION, Pulullanase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | 登録日 | 2019-02-18 | 公開日 | 2019-03-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.025 Å) | 主引用文献 | Crystal structure of mutant D350A of Pullulanase from Paenibacillus barengoltzii complexed with maltotriose To Be Published
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6JHG
| Crystal structure of apo Pullulanase from Paenibacillus barengoltzii in space group P212121 | 分子名称: | CALCIUM ION, CHLORIDE ION, Pulullanase | 著者 | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | 登録日 | 2019-02-18 | 公開日 | 2019-03-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | 主引用文献 | Crystal structure of apo Pullulanase from Paenibacillus barengoltzii in space group P212121 To Be Published
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4K35
| The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, glycoside hydrolase family 81 endo-beta-1,3-glucanase | 著者 | Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R. | 登録日 | 2013-04-10 | 公開日 | 2013-10-02 | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | 主引用文献 | The structure of a glycoside hydrolase family 81
endo-[beta]-1,3-glucanase Acta Crystallogr.,Sect.D, 69, 2013
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7YDX
| Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | 分子名称: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | 登録日 | 2022-07-04 | 公開日 | 2023-04-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.642 Å) | 主引用文献 | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor. Nat Commun, 13, 2022
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7XMK
| Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | 分子名称: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Zhang, L, Wang, Y, Li, Y, Yang, S. | 登録日 | 2022-04-26 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.376 Å) | 主引用文献 | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases. J.Med.Chem., 67, 2024
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2KSG
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7VUX
| Complex structure of PD1 and 609A-Fab | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Huang, H, Zhu, Z, Zhao, J, Jiang, L, Yang, H, Deng, L, Meng, X, Ding, J, Yang, S, Zhao, L, Xu, W, Wang, X. | 登録日 | 2021-11-04 | 公開日 | 2021-11-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | A strategy for the efficient construction of anti-PD1-based bispecific antibodies with desired IgG-like properties. Mabs, 14, 2022
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6IMC
| Crystal Structure of ALKBH1 in complex with Mn(II) and N-Oxalylglycine | 分子名称: | MANGANESE (II) ION, N-OXALYLGLYCINE, Nucleic acid dioxygenase ALKBH1 | 著者 | Zhang, M, Yang, S, Zhao, W, Li, H. | 登録日 | 2018-10-22 | 公開日 | 2020-01-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA. Cell Res., 30, 2020
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