3G5Z
 
 | |
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
|
|
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
|
|
4EMM
 | |
2HAL
 | | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | | 分子名称: | Hepatitis A Protease 3C, N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE | | 著者 | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | | 登録日 | 2006-06-13 | | 公開日 | 2006-08-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors.
J.Mol.Biol., 361, 2006
|
|
8X73
 | | Crystal structure of Peroxiredoxin I in complex with compound 19-069 | | 分子名称: | Peroxiredoxin-1, methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2023-11-22 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
|
|
8X71
 | | Crystal structure of Peroxiredoxin I in complex with compound 19-064 | | 分子名称: | Peroxiredoxin-1, methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2023-11-22 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
|
|
3Q35
 | | Structure of the Rtt109-AcCoA/Vps75 complex and implications for chaperone-mediated histone acetylation | | 分子名称: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, Histone acetyltransferase, ... | | 著者 | Tang, Y, Yuan, H, Meeth, K, Marmorstein, R. | | 登録日 | 2010-12-21 | | 公開日 | 2011-02-02 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
|
|
3Q33
 | | Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation | | 分子名称: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, HISTONE H3, ... | | 著者 | Tang, Y, Yuan, H, Meeth, K, Marmorstein, R. | | 登録日 | 2010-12-21 | | 公開日 | 2011-02-02 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
|
|
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
|
|
5VZ2
 | |
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
|
|
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
|
|
8JRN
 | | Structure of E6AP-E6 complex in Att1 state | | 分子名称: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | 著者 | Wang, Z, Yu, X. | | 登録日 | 2023-06-17 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
|
|
8JRQ
 | | Structure of E6AP-E6 complex in Det1 state | | 分子名称: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | 著者 | Wang, Z, Yu, X. | | 登録日 | 2023-06-17 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (4.15 Å) | | 主引用文献 | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
|
|
8JRP
 | | Structure of E6AP-E6 complex in Att3 state | | 分子名称: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | 著者 | Wang, Z, Yu, X. | | 登録日 | 2023-06-17 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.58 Å) | | 主引用文献 | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
|
|
8JRR
 | | Structure of E6AP-E6 complex in Det2 state | | 分子名称: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | 著者 | Wang, Z, Yu, X. | | 登録日 | 2023-06-17 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (4.35 Å) | | 主引用文献 | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
|
|
8JRO
 | | Structure of E6AP-E6 complex in Att2 state | | 分子名称: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | | 著者 | Wang, Z, Yu, X. | | 登録日 | 2023-06-17 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.01 Å) | | 主引用文献 | Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
