8E9F
 
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7RC1
 | | X-ray Structure of SARS-CoV main protease covalently modified by compound GRL-0686 | | 分子名称: | 3C-like proteinase, 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate, DIMETHYL SULFOXIDE | | 著者 | Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2021-07-07 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
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6USS
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8JPC
 | | cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 2 | | 分子名称: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | 登録日 | 2023-06-11 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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6UT7
 | | Fitted model for the tetradecameric assembly of Thermococcus gammatolerans McrB AAA+ hexamers with bound McrC | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase subunit of restriction endonuclease, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Niu, Y, Suzuki, H, Hosford, C.J, Chappie, J.S, Walz, T. | | 登録日 | 2019-10-29 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.26 Å) | | 主引用文献 | Structural asymmetry governs the assembly and GTPase activity of McrBC restriction complexes.
Nat Commun, 11, 2020
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8EDC
 | | Structure of C. elegans UNC-5 IG 1+2 Domains | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Netrin receptor unc-5, SULFATE ION | | 著者 | Priest, J.M, Ozkan, E. | | 登録日 | 2022-09-04 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Structural insights into the formation of repulsive netrin guidance complexes.
Sci Adv, 10, 2024
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7LC5
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8JPB
 | | cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 1 | | 分子名称: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | 登録日 | 2023-06-11 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8DQP
 | | Crystal structure of Arabidopsis thaliana COSY in complex with scopoletin | | 分子名称: | 1,2-ETHANEDIOL, 7-hydroxy-6-methoxy-2H-1-benzopyran-2-one, ACETATE ION, ... | | 著者 | Kim, C.Y, Mitchell, A.J, Gutierrez, M, Weng, J.K. | | 登録日 | 2022-07-19 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY.
Nat Commun, 14, 2023
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8E1W
 | | Neutron crystal structure of Panus similis AA9A at room temperature | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | | 著者 | Meilleur, F, Tandrup, T, Lo Leggio, L. | | 登録日 | 2022-08-11 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION | | 主引用文献 | Joint X-ray/neutron structure of Lentinus similis AA9_A at room temperature.
Acta Crystallogr.,Sect.F, 79, 2023
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6UUL
 | | Crystal structure of broad and potent HIV-1 neutralizing antibody 438-D5 | | 分子名称: | 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, D5 Fab Heavy Chain, ... | | 著者 | Kumar, S, Wilson, I.A. | | 登録日 | 2019-10-30 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
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7M0S
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8JPF
 | | Focused refiment structure of NTSR1 in NTSR1-GRK2-Galpha(q) complexes | | 分子名称: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, NTS, Neurotensin receptor type 1 | | 著者 | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | 登録日 | 2023-06-11 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8DV6
 | | Zika virus envelope protein structure in complex with a potent Human mAb | | 分子名称: | Envelope protein E, mAb Fab Heavy Chain, mAb Fab Light Chain | | 著者 | Cameron, A, Puhl, A.C, deSilva, A.M, Premkumar, L. | | 登録日 | 2022-07-28 | | 公開日 | 2023-01-04 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.38 Å) | | 主引用文献 | Structure and neutralization mechanism of a human antibody targeting a complex Epitope on Zika virus.
Plos Pathog., 19, 2023
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7RBZ
 | | X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-017-20 | | 分子名称: | 3C-like proteinase, 5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate | | 著者 | Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2021-07-06 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
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7TY7
 | | Cryo-EM structure of human Anion Exchanger 1 bound to Bicarbonate | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, ... | | 著者 | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | 登録日 | 2022-02-11 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
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8DQQ
 | | Crystal structure of Arabidopsis thaliana COSY in complex with scopoletin | | 分子名称: | 7-hydroxy-2H-chromen-2-one, ACETATE ION, CALCIUM ION, ... | | 著者 | Kim, C.Y, Mitchell, A.J, Gutierrez, M, Weng, J.K. | | 登録日 | 2022-07-19 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY.
Nat Commun, 14, 2023
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7TY6
 | | Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatodihydrostilbene-2,2'-Disulfonic Acid (H2DIDS) | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ... | | 著者 | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | 登録日 | 2022-02-11 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
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7LAD
 | | Clobetasol propionate bound to CYP3A5 | | 分子名称: | Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. | | 登録日 | 2021-01-06 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5.
J.Am.Chem.Soc., 143, 2021
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8OEI
 | | SFX structure of FutA after an accumulated dose of 350 kGy | | 分子名称: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | | 著者 | Bolton, R, Tews, I. | | 登録日 | 2023-03-10 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7LTN
 | | Crystal structure of Mpro in complex with inhibitor CDD-1713 | | 分子名称: | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide, 3C-like proteinase | | 著者 | Lu, S, Palzkill, T, Matzuk, M, Young, D, Melek, N, Chamakuri, S. | | 登録日 | 2021-02-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6UZU
 | | Carbonic Anhydrase IX-mimic In Complex WITH U-CH3 | | 分子名称: | 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | McKenna, R, Mboge, M.Y, Mahon, B.P. | | 登録日 | 2019-11-15 | | 公開日 | 2020-10-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure activity study of carbonic anhydrase IX: Selective inhibition with ureido-substituted benzenesulfonamides.
Eur J Med Chem, 132, 2017
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7TY4
 | | Cryo-EM structure of human Anion Exchanger 1 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, ... | | 著者 | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | 登録日 | 2022-02-11 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | | 主引用文献 | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
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8DSR
 | | Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362 | | 分子名称: | (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one, Plasmepsin X | | 著者 | Abendroth, J, Lorimer, D.D. | | 登録日 | 2022-07-22 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 .
J.Med.Chem., 65, 2022
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7TYA
 | | Cryo-EM structure of human Anion Exchanger 1 modified with Diethyl Pyrocarbonate (DEPC) | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, ... | | 著者 | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | 登録日 | 2022-02-11 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
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