8HLT
| The co-crystal structure of DYRK2 with YK-2-99B | 分子名称: | (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 著者 | Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N. | 登録日 | 2022-12-01 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer. J.Med.Chem., 66, 2023
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7V2Z
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7BTF
| SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | 著者 | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | 登録日 | 2020-04-01 | 公開日 | 2020-04-08 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Structure of the RNA-dependent RNA polymerase from COVID-19 virus. Science, 368, 2020
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6AJF
| Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Drug exporters of the RND superfamily-like protein,Endolysin, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.698 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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6AJG
| Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109 | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ... | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.604 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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6AJJ
| Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38 | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.794 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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5XLL
| Dimer form of M. tuberculosis PknI sensor domain | 分子名称: | Serine/threonine-protein kinase PknI | 著者 | Rao, Z, Yan, Q. | 登録日 | 2017-05-10 | 公開日 | 2018-05-16 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | 主引用文献 | Structural Insight into the Activation of PknI Kinase from M. tuberculosis via Dimerization of the Extracellular Sensor Domain. Structure, 25, 2017
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6LDZ
| Crystal structure of Rv0222 from Mycobacterium tuberculosis | 分子名称: | Probable enoyl-CoA hydratase EchA1 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase) | 著者 | Li, J, Ran, Y.J, Wang, L, Wu, J.H, Ge, B.X, Rao, Z.H. | 登録日 | 2019-11-23 | 公開日 | 2020-01-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Host-mediated ubiquitination of a mycobacterial protein suppresses immunity. Nature, 577, 2020
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6KVG
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4IKG
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8V4X
| Structure of MALT1 in complex with an allosteric inhibitor | 分子名称: | Inhibitor peptide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea | 著者 | Judge, R.A, Pappano, W.N. | 登録日 | 2023-11-29 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.486 Å) | 主引用文献 | Inhibition of MALT1 and BCL2 induces synergistic anti-tumor activity in models of B cell lymphoma. Mol.Cancer Ther., 2024
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8H5F
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L167F Mutant in Complex with Inhibitor 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 | Lin, M, Liu, X. | 登録日 | 2022-10-13 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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6E2M
| ASK1 kinase domain complex with inhibitor | 分子名称: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.253 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6E2N
| ASK1 kinase domain complex with inhibitor | 分子名称: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6E2O
| ASK1 kinase domain complex with inhibitor | 分子名称: | 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.389 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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3N9L
| ceKDM7A from C.elegans, complex with H3K4me3 peptide and NOG | 分子名称: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | 登録日 | 2010-05-31 | 公開日 | 2010-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.796 Å) | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9M
| ceKDM7A from C.elegans, alone | 分子名称: | FE (II) ION, Putative uncharacterized protein, ZINC ION | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | 登録日 | 2010-05-31 | 公開日 | 2010-06-30 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9Q
| ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K27me2 peptide and NOG | 分子名称: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | 登録日 | 2010-05-31 | 公開日 | 2010-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9N
| ceKDM7A from C.elegans, complex with H3K4me3K9me2 peptide and NOG | 分子名称: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | 登録日 | 2010-05-31 | 公開日 | 2010-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9P
| ceKDM7A from C.elegans, complex with H3K4me3K27me2 peptide and NOG | 分子名称: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | 登録日 | 2010-05-31 | 公開日 | 2010-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.388 Å) | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9O
| ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K9me2 peptide and NOG | 分子名称: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | 登録日 | 2010-05-31 | 公開日 | 2010-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.309 Å) | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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4G2W
| Crystal structure of PDE5A in complex with its inhibitor | 分子名称: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | 著者 | Ren, J, Chen, T.T, Xu, Y.C. | 登録日 | 2012-07-13 | 公開日 | 2013-06-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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4G2Y
| Crystal structure of PDE5A complexed with its inhibitor | 分子名称: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | 著者 | Ren, J, Chen, T.T, Xu, Y.C. | 登録日 | 2012-07-13 | 公開日 | 2013-06-26 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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5BTU
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5BU3
| Crystal Structure of Diels-Alderase PyrI4 in complex with its product | 分子名称: | (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4 | 著者 | Pan, L, Guo, Y, Liu, J. | 登録日 | 2015-06-03 | 公開日 | 2016-02-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4 Cell Chem Biol, 23, 2016
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