7ELG
 
 | | LC3B modificated with a covalent probe | | 分子名称: | 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione, Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION | | 著者 | Fan, S, Wan, W. | | 登録日 | 2021-04-10 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | | 主引用文献 | Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8J5J
 | | The crystal structure of bat coronavirus RsYN04 RBD bound to the antibody S43 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nano antibody S43 | | 著者 | Zhao, R.C, Niu, S, Han, P, Qi, J.X, Gao, G.F, Wang, Q.H. | | 登録日 | 2023-04-23 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Cross-species recognition of bat coronavirus RsYN04 and cross-reaction of SARS-CoV-2 antibodies against the virus.
Zool.Res., 44, 2023
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5WUU
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6LG9
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6LG8
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5VXO
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5VXS
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5VXC
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7V7L
 | | Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex | | 分子名称: | Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha | | 著者 | Diao, X, Ren, X, Li, F.W, Sun, X, Wu, D. | | 登録日 | 2021-08-21 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha.
Nat Commun, 13, 2022
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7V7W
 | | Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex with oleoylethanolamide (OEA) | | 分子名称: | (Z)-N-(2-hydroxyethyl)octadec-9-enamide, Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha | | 著者 | Diao, X, Ren, X, Li, F.W, Zhang, M, Sun, X, Wu, D. | | 登録日 | 2021-08-21 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.507 Å) | | 主引用文献 | Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha.
Nat Commun, 13, 2022
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7D3D
 | | Crystal structure of SPOP bound with a peptide | | 分子名称: | GLU-VAL-SER-ILE-ILE-GLN-GLY-ALA-ASP-SER-THR-THR, GLYCEROL, Speckle-type POZ protein | | 著者 | Yang, C.-G, Gan, J.H. | | 登録日 | 2020-09-18 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | A peptide binder of E3 ligase adaptor SPOP disrupts oncogenic SPOP-protein interactions in kidney cancer cells.
Chin.J.Chem., 39, 2021
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7CYP
 | | Complex of SARS-CoV-2 spike trimer with its neutralizing antibody HB27 | | 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, Heavy chain of HB27, ... | | 著者 | Wang, X, Zhu, L. | | 登録日 | 2020-09-04 | | 公開日 | 2021-06-09 | | 最終更新日 | 2022-02-23 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Double lock of a potent human therapeutic monoclonal antibody against SARS-CoV-2.
Natl Sci Rev, 8, 2021
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7EFJ
 | | Crystal Structure Analysis of human PIN1 | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | 著者 | Liu, L, Li, J. | | 登録日 | 2021-03-21 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | | 主引用文献 | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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7EFX
 | | Crystal Structure of human PIN1 complexed with covalent inhibitor | | 分子名称: | 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | 著者 | Liu, L, Li, J, Zhu, R, Pei, Y. | | 登録日 | 2021-03-23 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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7EKV
 | | Crystal Structure of human Pin1 complexed with a covalent inhibitor | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | 著者 | Liu, L, Li, J. | | 登録日 | 2021-04-06 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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7EU8
 | | Structure of the human GluN1-GluN2B NMDA receptor in complex with S-ketamine,glycine and glutamate | | 分子名称: | (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | 著者 | Zhang, T, Zhang, Y, Zhu, S. | | 登録日 | 2021-05-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (4.07 Å) | | 主引用文献 | Structural basis of ketamine action on human NMDA receptors.
Nature, 596, 2021
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7EU7
 | | Structure of the human GluN1-GluN2A NMDA receptor in complex with S-ketamine, glycine and glutamate | | 分子名称: | (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ... | | 著者 | Zhang, Y, Zhang, T, Zhu, S. | | 登録日 | 2021-05-16 | | 公開日 | 2021-08-04 | | 最終更新日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural basis of ketamine action on human NMDA receptors.
Nature, 596, 2021
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7F0M
 | | Crystal Structure of human Pin1 complexed with a potent covalent inhibitor | | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | 著者 | Liu, L, Li, J. | | 登録日 | 2021-06-05 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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6CFD
 | | ADEP4 bound to E. faecium ClpP | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide | | 著者 | Lee, R.E, Griffith, E.C. | | 登録日 | 2018-02-14 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
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7VD4
 | | Crystal structure of BPTF-BRD with ligand TP248 bound | | 分子名称: | 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | 著者 | Lu, T, Lu, H.B. | | 登録日 | 2021-09-06 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85659146 Å) | | 主引用文献 | Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
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7YHW
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2.12.1 RBD in complex with human ACE2 (local refinement) | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | | 登録日 | 2022-07-14 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | | 主引用文献 | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
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7YJ3
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with human ACE2 (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | 著者 | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | | 登録日 | 2022-07-19 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
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7YV8
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ... | | 著者 | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | | 登録日 | 2022-08-18 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | | 主引用文献 | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
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7YVU
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | | 著者 | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | | 登録日 | 2022-08-19 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
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5VZ2
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