PDB: 66724 件ウェブページステータス検索Chemie searchBIRD

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8U9N	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI64 分子名称: (1R,2S,5S)-3-[bis(4-chlorophenyl)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 著者 Blankenship, L.R, Liu, W.R. 登録日 2023-09-19 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published
8U9T	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI97 分子名称: (1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide, 3C-like proteinase nsp5 著者 Blankenship, L.R, Liu, W.R. 登録日 2023-09-20 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published
8U9V	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI101 分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-{[(pyridin-3-yl)methoxy]carbonyl}-L-leucinamide 著者 Blankenship, L.R, Liu, W.R. 登録日 2023-09-20 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published
9BK4	Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with pyruvic acid bound 分子名称: PYRUVIC ACID, RidA family protein PA5083, SULFATE ION 著者 Zhou, D, Chen, L, Rose, J.P, Wang, B.C. 登録日 2024-04-26 公開日 2024-09-04 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with pyruvic acid bound To Be Published
9BIC	N-Me-D-Leu2,D-Thr5-clovibactin 分子名称: CADMIUM ION, PHE-MLU-DLY-SER-DTH-ALA-LEU-LEU, SULFATE ION 著者 Kreutzer, A.G, Griffin, J.G, Nowick, J.S. 登録日 2024-04-23 公開日 2024-09-18 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structure-Activity Relationship Studies of the Peptide Antibiotic Clovibactin. J.Org.Chem., 89, 2024
9BEB	Tungstate binding protein (Tungbindin) from Eubacterium limosum with eight Tungstates bound 分子名称: Molybdenum-pterin binding domain-containing protein, TUNGSTATE(VI)ION 著者 Zhou, D, Rose, J.P, Chen, L, Wang, B.C. 登録日 2024-04-15 公開日 2024-09-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Tungstate binding protein (Tungbindin) from Eubacterium limosum with eight Tungstates bound To be published
9BEO	Tungstate binding protein (Tungbindin) from Eubacterium limosum with 7.5 tungstates bound 分子名称: Molybdenum-pterin binding domain-containing protein, TUNGSTATE(VI)ION 著者 Zhou, D, Rose, J.P, Chen, L, Wang, B.C. 登録日 2024-04-16 公開日 2024-09-04 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Tungstate binding protein (Tungbindin) from Eubacterium limosum with 7.5 tungstates bound To Be Published
9BKH	Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with Acetaldehyde bound 分子名称: ACETYL GROUP, RidA family protein PA5083 著者 Zhou, D, Chen, L, Rose, J.P, Wang, B.C. 登録日 2024-04-28 公開日 2024-09-04 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with Acetaldehyde bound To Be Published
9BIV	Crystal Structure of Ubc13 with a New Active Site Loop Conformation 分子名称: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2 著者 Farraj, R.A, Edwards, R.A, Glover, J.N.M. 登録日 2024-04-24 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Crystal Structure of Ubc13 with a New Active Site Loop Conformation To Be Published
9BUJ	Structure of PfPL1 from Pseudoalteromonas fuliginea 分子名称: CALCIUM ION, Pectate lyase 著者 Boraston, A.B, Hobbs, J.K. 登録日 2024-05-17 公開日 2024-07-10 最終更新日 2024-07-17 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 The structure of a pectin-active family 1 polysaccharide lyase from the marine bacterium Pseudoalteromonas fuliginea. Acta Crystallogr.,Sect.F, 80, 2024
9FXP	Crystal structure of BRD4 BD1 with DI00626383. 分子名称: 4-methoxy-1,2-benzoxazol-3-amine, Bromodomain-containing protein 4 著者 Bader, G, Reinert, D. 登録日 2024-07-02 公開日 2024-08-07 最終更新日 2024-08-21 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups. J.Med.Chem., 67, 2024
6MR7	DNA polymerase beta substrate complex with templating adenine and incoming Fapy-dGTP analog 分子名称: 1,2-ETHANEDIOL, 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, ... 著者 Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. 登録日 2018-10-11 公開日 2019-01-30 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.144 Å) 主引用文献 A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition. Nucleic Acids Res., 47, 2019
6ML7	ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification) 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ... 著者 Horton, J.R, Cheng, X, Ren, R. 登録日 2018-09-26 公開日 2019-07-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
8XPK	Marine bacterial laminarinase PtLam mutant E154A in complex with laminatriose 分子名称: CALCIUM ION, Laminarinase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose 著者 Yang, J. 登録日 2024-01-03 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Marine bacterial laminarinase PtLam mutant E154A in complex with laminatriose To Be Published
8XPH	Marine Planctomycetes laminarinase PtLam 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Laminarinase PtLam 著者 Yang, J. 登録日 2024-01-03 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Marine Planctomycetes laminarinase PtLam To Be Published
8ZHY	Magnesium substituted Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with CO2. 分子名称: 1,2-ETHANEDIOL, 4-hydroxythreonine-4-phosphate dehydrogenase, CARBON DIOXIDE, ... 著者 Kumar, K.A, Pahwa, D, Kumar, P. 登録日 2024-05-11 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Magnesium substituted Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with CO2. To Be Published
8ZJ0	Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3-Hydroxybenzoate. 分子名称: 3-HYDROXYBENZOIC ACID, 4-hydroxythreonine-4-phosphate dehydrogenase, CHLORIDE ION, ... 著者 Kumar, K.A, Pahwa, D, Kumar, P. 登録日 2024-05-14 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3-Hydroxybenzoate. To Be Published
8ZJ3	Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 4-Hydroxybenzoate. 分子名称: 1,2-ETHANEDIOL, 4-hydroxythreonine-4-phosphate dehydrogenase, GLYCEROL, ... 著者 Kumar, K.A, Pahwa, D, Kumar, P. 登録日 2024-05-14 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 4-Hydroxybenzoate. To Be Published
8ZI8	Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 2,5-Dihydroxybenzoate. 分子名称: 1,2-ETHANEDIOL, 2,5-dihydroxybenzoic acid, 4-hydroxythreonine-4-phosphate dehydrogenase, ... 著者 Kumar, K.A, Pahwa, D, Kumar, P. 登録日 2024-05-13 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 2,5-Dihydroxybenzoate. To Be Published
9EOY	Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to PIPA 分子名称: 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]ethanoic acid, ACETATE ION, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... 著者 Narayanan, D, Larsen, A.S.G, Solbak, S.M.O, Wellendorph, P, Gee, C.L, Kastrup, J.S. 登録日 2024-03-15 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Ligand-induced CaMKII alpha hub Trp403 flip, hub domain stacking, and modulation of kinase activity. Protein Sci., 33, 2024
8U9W	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI105 分子名称: 3C-like proteinase nsp5, N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-[(2R)-2-phenylazetidine-1-carbonyl]-L-leucinamide 著者 Blankenship, L.R, Liu, W.R. 登録日 2023-09-20 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published
8U9M	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI95 分子名称: 3C-like proteinase nsp5, bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate 著者 Blankenship, L.R, Liu, W.R. 登録日 2023-09-19 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published
6MN0	Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H168A mutant in complex with acetyl-CoA 分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETYL COENZYME *A, Aminoglycoside N(3)-acetyltransferase, ... 著者 Stogios, P.J, Skarina, T, Zu, X, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2018-10-01 公開日 2018-10-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
6MXW	Room-temperature structure of hydrogenated Tetdron (isomorph 1) 分子名称: Photoswitchable protein Tetdron 著者 Dajnowicz, S, Kovalevsky, A. 登録日 2018-10-31 公開日 2019-11-06 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.049 Å) 主引用文献 Room-temperature in crystallo photo-induced deprotonation and tetramerization of photo-switchable protein Padron2.0 To Be Published
6NAE	Crystal Structure of Ebola zaire GP protein with bound ARN0074898 分子名称: (1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2018-12-05 公開日 2019-12-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Discovery of Adamantane Carboxamides as Ebola Virus Cell Entry and Glycoprotein Inhibitors. Acs Med.Chem.Lett., 11, 2020

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