8IGX
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound 9 (simnotrelvir, SIM0417, SSD8432) | 分子名称: | (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-21 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFP
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1 | 分子名称: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFS
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound 7 | 分子名称: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IGY
| SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-21 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFT
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10 | 分子名称: | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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4PNZ
| Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102) | 分子名称: | (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Scapin, G, Yan, Y. | 登録日 | 2014-02-22 | 公開日 | 2014-04-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Omarigliptin (MK-3102): A Novel Long-Acting DPP-4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes. J.Med.Chem., 57, 2014
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2KNV
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2GAR
| A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION | 著者 | Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A. | 登録日 | 1998-05-13 | 公開日 | 1998-08-12 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A. J.Mol.Biol., 281, 1998
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2P4L
| Structure and sodium channel activity of an excitatory I1-superfamily conotoxin | 分子名称: | I-superfamily conotoxin r11a | 著者 | Buczek, O, Wei, D.X, Babon, J.J, Yang, X.D, Fiedler, B, Yoshikami, D, Olivera, B.M, Bulaj, G, Norton, R.S. | 登録日 | 2007-03-12 | 公開日 | 2007-09-25 | 最終更新日 | 2022-03-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure and Sodium Channel Activity of an Excitatory I(1)-Superfamily Conotoxin Biochemistry, 46, 2007
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7CHO
| Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | 登録日 | 2020-07-06 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.561 Å) | 主引用文献 | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2. Nat Commun, 12, 2021
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7CHS
| Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | 登録日 | 2020-07-06 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2. Nat Commun, 12, 2021
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7CHP
| Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | 登録日 | 2020-07-06 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.357 Å) | 主引用文献 | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2. Nat Commun, 12, 2021
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7DMY
| The crystal structure of Cpd7 in complex with BPTF bromodomain | 分子名称: | Nucleosome-remodeling factor subunit BPTF, tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate | 著者 | Xiong, L, Guo, Y, Yang, S. | 登録日 | 2020-12-08 | 公開日 | 2021-10-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization. Biochem.Biophys.Res.Commun., 545, 2021
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7DN4
| The crystal structure of Cpd8 in complex with BPTF bromodomain | 分子名称: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one, Nucleosome-remodeling factor subunit BPTF | 著者 | Xiong, L, Guo, Y, Yang, S. | 登録日 | 2020-12-08 | 公開日 | 2021-10-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.841 Å) | 主引用文献 | Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization. Biochem.Biophys.Res.Commun., 545, 2021
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7CMD
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7CJD
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7FJO
| Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with three T6 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, T6 heavy chain, ... | 著者 | Wang, X, Zhang, L, Zhang, S, Liang, Q. | 登録日 | 2021-08-04 | 公開日 | 2022-04-13 | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | 主引用文献 | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
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7FJN
| Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ... | 著者 | Wang, X, Zhang, L, Zhang, S, Liang, Q. | 登録日 | 2021-08-04 | 公開日 | 2022-04-27 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
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7FJS
| Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ... | 著者 | Wang, X, Zhang, L, Zhang, S, Liang, Q. | 登録日 | 2021-08-04 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
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5YHY
| Structure of Lactococcus lactis ZitR, C30S mutant | 分子名称: | ZINC ION, Zinc transport transcriptional regulator | 著者 | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | 登録日 | 2017-10-01 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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5YI3
| Structure of Lactococcus lactis ZitR, C30S mutant in complex with DNA | 分子名称: | DNA (5'-D(*TP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*A)-3'), ZINC ION, Zinc transport transcriptional regulator | 著者 | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | 登録日 | 2017-10-01 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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5YHZ
| Structure of Lactococcus lactis ZitR, E41A mutant | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ZINC ION, ... | 著者 | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | 登録日 | 2017-10-01 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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5YI0
| Structure of Lactococcus lactis ZitR, C30AH42A mutant | 分子名称: | ZINC ION, Zinc transport transcriptional regulator | 著者 | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | 登録日 | 2017-10-01 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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5YHX
| Structure of Lactococcus lactis ZitR, wild type | 分子名称: | ZINC ION, Zinc transport transcriptional regulator | 著者 | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | 登録日 | 2017-10-01 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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5YI1
| Structure of Lactococcus lactis ZitR, C30AH42A mutant in apo form | 分子名称: | Zinc transport transcriptional regulator | 著者 | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | 登録日 | 2017-10-01 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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