PDB: 30805 件ウェブページステータス検索Chemie searchBIRD

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8CEX	Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227 分子名称: 6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION 著者 Kosenina, S, Scaletti, E.R, Stenmark, P. 登録日 2023-02-02 公開日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227 To Be Published
7NFH	A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4. 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4 著者 Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. 登録日 2021-02-07 公開日 2022-03-02 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
6ORM	Crystal Structure of Peruvianin-I (Cysteine peptidase from Thevetia peruviana latex) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peruvianin-I, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cruz, W.T, Bezerra, E.H.S, da Silva, F.M.S, Freire, V.N, Ramos, M.V, Rocha, B.A.M, Freitas, C.D.T. 登録日 2019-04-30 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structure and specific location of a germin-like protein with proteolytic activity from Thevetia peruviana. Plant Sci., 298, 2020
6MBG	GphF Dehydratase P1711L variant for improved crystallization 分子名称: 1,4-BUTANEDIOL, GphF, MAGNESIUM ION 著者 Dodge, G.J, Smith, J.L. 登録日 2018-08-29 公開日 2018-09-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.852 Å) 主引用文献 Molecular Basis for Olefin Rearrangement in the Gephyronic Acid Polyketide Synthase. ACS Chem. Biol., 13, 2018
7T49	Structure of SARS-CoV-2 3CL protease in complex with inhibitor 10c 分子名称: (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase 著者 Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. 登録日 2021-12-09 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
6O4L	Structure of ALDH7A1 mutant E399D complexed with NAD 分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... 著者 Tanner, J.J, Korasick, D.A, Laciak, A.R. 登録日 2019-02-28 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy. J. Inherit. Metab. Dis., 43, 2020
7NFN	A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21N-I24N. 分子名称: CC-Type2-(LaId)4-L21N-I24N, HEXANE-1,6-DIOL 著者 Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. 登録日 2021-02-07 公開日 2022-03-02 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
7VBO	Alginate binding domain CBM 分子名称: Alginate lyase, CALCIUM ION, SULFATE ION 著者 Ji, S.Q, She, Q. 登録日 2021-09-01 公開日 2022-09-07 最終更新日 2023-04-12 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Identification and structural analysis of a carbohydrate-binding module specific to alginate, a representative of a new family, CBM96. J.Biol.Chem., 299, 2023
6MC4	Crystal structure of a tetrameric DNA fold-back quadruplex 分子名称: CALCIUM ION, DNA (5'-D(*CP*GP*TP*CP*AP*GP*GP*CP*G)-3'), POTASSIUM ION 著者 Chu, B, Paukstelis, P.J. 登録日 2018-08-30 公開日 2018-11-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal Structure of a Tetrameric DNA Fold-Back Quadruplex. J. Am. Chem. Soc., 140, 2018
7T4B	Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c 分子名称: (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... 著者 Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. 登録日 2021-12-09 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
7N0E	Co-complex of the histidine kinase region of RetS and the dimerization and histidine phosphotransfer domain of GacS 分子名称: Histidine kinase 著者 Ryan Kaler, K, Schubot, F.D, Nix, J. 登録日 2021-05-25 公開日 2022-03-09 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 RetS inhibits Pseudomonas aeruginosa biofilm formation by disrupting the canonical histidine kinase dimerization interface of GacS. J.Biol.Chem., 297, 2021
8P57	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77. 分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... 著者 Costanzi, E, Demitri, N, Storici, P. 登録日 2023-05-23 公開日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
8P55	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar MG-132. 分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... 著者 Costanzi, E, Demitri, N, Storici, P. 登録日 2023-05-23 公開日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
6MAB	1.7A resolution structure of RsbU from Chlamydia trachomatis (periplasmic domain) 分子名称: ISOPROPYL ALCOHOL, Sigma regulatory family protein-PP2C phosphatase 著者 Dmitriev, A, Lovell, S, Battaile, K.P, Soules, K, Hefty, P.S. 登録日 2018-08-27 公開日 2019-09-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural and ligand binding analyses of the periplasmic sensor domain of RsbU in Chlamydia trachomatis support a role in TCA cycle regulation. Mol.Microbiol., 113, 2020
8P5A	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer R. 分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... 著者 Costanzi, E, Demitri, N, Storici, P. 登録日 2023-05-23 公開日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
7VB8	SbSOMT in complex with resveratrol and nicotinamide adenine dinucleotide(NAD+) 分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... 著者 Pow, K.C, Hao, Q. 登録日 2021-08-30 公開日 2022-09-07 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Regioselective stilbene O-methylations in Saccharinae grasses. Nat Commun, 14, 2023
6OTD	Globin sensor domain of AfGcHK in monomeric form, with imidazole 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Globin-coupled histidine kinase, IMIDAZOLE, ... 著者 Skalova, T, Dohnalek, J, Kolenko, P, Stranava, M, Lengalova, A, Martinkova, M. 登録日 2019-05-03 公開日 2020-01-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Disruption of the dimerization interface of the sensing domain in the dimeric heme-based oxygen sensorAfGcHK abolishes bacterial signal transduction. J.Biol.Chem., 295, 2020
7T40	Structure of MERS 3CL protease in complex with inhibitor 10c 分子名称: (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... 著者 Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. 登録日 2021-12-09 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
6OTK	Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB10-596B 分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Kota, A, McKenna, R. 登録日 2019-05-03 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.123 Å) 主引用文献 Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B To Be Published
6UFB	Carbonic anhydrase 2 with inhibitor (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide (11a/D1) 分子名称: (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide, CHLORIDE ION, Carbonic anhydrase 2, ... 著者 Peat, T.S. 登録日 2019-09-24 公開日 2020-08-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action. J.Med.Chem., 63, 2020
6MD4	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid 分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ... 著者 Shang, J, Kojetin, D.J. 登録日 2018-09-03 公開日 2019-01-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma. Elife, 7, 2018
8P87	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal. 分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... 著者 Costanzi, E, Demitri, N, Storici, P. 登録日 2023-05-31 公開日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
6OTN	Crystal Structure of an N-terminal Fragment of Cancer Associated Tropomyosin 3.1 (Tpm3.1) 分子名称: SULFATE ION, Tropomyosin alpha-3 chain 著者 Rynkiewicz, M.J, Ghosh, A, Lehman, W.J, Janco, M, Gunning, P.W. 登録日 2019-05-03 公開日 2019-08-14 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Molecular integration of the anti-tropomyosin compound ATM-3507 into the coiled coil overlap region of the cancer-associated Tpm3.1. Sci Rep, 9, 2019
7T42	Structure of SARS-CoV-2 3CL protease in complex with inhibitor 2c 分子名称: (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... 著者 Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. 登録日 2021-12-09 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
6O5E	Crystal structure of the Vitronectin hemopexin-like domain 分子名称: CHLORIDE ION, IMIDAZOLE, NITRATE ION, ... 著者 Lechtenberg, B.C, Shin, K, Marassi, F.M. 登録日 2019-03-01 公開日 2019-09-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail. Sci Adv, 5, 2019

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