7YG0
| Cryo-EM structure of human sodium-chloride cotransporter | 分子名称: | Solute carrier family 12 member 3 | 著者 | Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q. | 登録日 | 2022-07-09 | 公開日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.75 Å) | 主引用文献 | Cryo-EM structure of the human sodium-chloride cotransporter NCC. Sci Adv, 8, 2022
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5TEU
| Brucella periplasmic binding protein YehZ | 分子名称: | ACETATE ION, L(+)-TARTARIC ACID, SULFATE ION, ... | 著者 | Herrou, J, Crosson, S. | 登録日 | 2016-09-22 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Conserved ABC Transport System Regulated by the General Stress Response Pathways of Alpha- and Gammaproteobacteria. J. Bacteriol., 199, 2017
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5TFD
| Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with CTP | 分子名称: | CYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | 登録日 | 2016-09-24 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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7YKE
| Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 4,6-sulfate | 分子名称: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose, Chondroitin sulfate ABC endolyase, MAGNESIUM ION | 著者 | Takashima, M, Watanabe, I, Miyanaga, A, Eguchi, T. | 登録日 | 2022-07-22 | 公開日 | 2022-11-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Biochemical and crystallographic assessments of the effect of 4,6-O-disulfated disaccharide moieties in chondroitin sulfate E on chondroitinase ABC I activity. Febs J., 290, 2023
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7Y5H
| Cryo-EM structure of a eukaryotic ZnT8 at a low pH | 分子名称: | ZINC ION, Zinc transporter 8 | 著者 | Zhang, S, Fu, C, Luo, Y, Sun, Z, Su, Z, Zhou, X. | 登録日 | 2022-06-17 | 公開日 | 2022-12-14 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | 主引用文献 | Cryo-EM structure of a eukaryotic zinc transporter at a low pH suggests its Zn 2+ -releasing mechanism. J.Struct.Biol., 215, 2022
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7MSD
| Structure of EED bound to EEDi-6068 | 分子名称: | (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED | 著者 | Petrunak, E, Stuckey, J. | 登録日 | 2021-05-11 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MSB
| Structure of EED bound to EEDi-4259 | 分子名称: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | 著者 | Petrunak, E, Stuckey, J. | 登録日 | 2021-05-11 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MK1
| Structure of a protein-modified aptamer complex | 分子名称: | Antiviral innate immune response receptor RIG-I, DNA (41-MER), MAGNESIUM ION, ... | 著者 | Ren, X, Pyle, A.M. | 登録日 | 2021-04-21 | 公開日 | 2021-11-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Evolving A RIG-I Antagonist: A Modified DNA Aptamer Mimics Viral RNA. J.Mol.Biol., 433, 2021
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5TFB
| Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | 登録日 | 2016-09-24 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5TFA
| Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dUTP | 分子名称: | Cystic fibrosis transmembrane conductance regulator, DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | 登録日 | 2016-09-24 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5TFI
| Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | 登録日 | 2016-09-25 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5TFG
| Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 5-methyl-UTP | 分子名称: | 5-Methyluridine triphosphate, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | 登録日 | 2016-09-25 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5WQU
| Crystal structure of Sweet Potato Beta-Amylase complexed with Maltotetraose | 分子名称: | Beta-amylase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Vajravijayan, S, Sergei, P, Nandhagopal, N, Gunasekaran, K. | 登録日 | 2016-11-28 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Structural insights on starch hydrolysis by plant beta-amylase and its evolutionary relationship with bacterial enzymes Int. J. Biol. Macromol., 113, 2018
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7VBU
| Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 | 分子名称: | 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole, ACETATE ION, CHLORIDE ION, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | 登録日 | 2021-09-01 | 公開日 | 2022-02-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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7VBX
| Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 | 分子名称: | (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | 登録日 | 2021-09-01 | 公開日 | 2022-02-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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5W7Q
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7LCR
| Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | 分子名称: | 3C-like proteinase, N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | 登録日 | 2021-01-11 | 公開日 | 2022-12-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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7VBV
| Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 | 分子名称: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | 登録日 | 2021-09-01 | 公開日 | 2022-02-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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7LXC
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5WF5
| Agonist bound human A2a adenosine receptor with D52N mutation at 2.60 A resolution | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera | 著者 | White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C. | 登録日 | 2017-07-11 | 公開日 | 2018-02-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling. Structure, 26, 2018
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5WPM
| KRas G12V, bound to GppNHp and miniprotein 225-11(A30R) | 分子名称: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Lee, S.-J, Shim, S.Y, McGee, J.H, Verdine, G.L. | 登録日 | 2017-08-05 | 公開日 | 2018-01-03 | 最終更新日 | 2018-03-14 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Exceptionally high-affinity Ras binders that remodel its effector domain. J. Biol. Chem., 293, 2018
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7MFI
| Bovine sigma-2 receptor bound to cholesterol | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ... | 著者 | Alon, A, Kruse, A.C. | 登録日 | 2021-04-09 | 公開日 | 2021-12-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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5WBQ
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5WDL
| A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis | 分子名称: | Aminopeptidase C, N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide, POTASSIUM ION | 著者 | Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J. | 登録日 | 2017-07-05 | 公開日 | 2018-07-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.625 Å) | 主引用文献 | A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro. Acs Chem.Biol., 13, 2018
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7M4M
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