PDB: 31489 件ウェブページステータス検索Chemie searchBIRD

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7AVI	Crystal structure of SOS1 in complex with compound 2 分子名称: 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide, Son of sevenless homolog 1 著者 Bader, G, Kessler, D, Wolkerstorfer, B. 登録日 2020-11-05 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
6JLS	Crystal Structure of FMN-dependent Cysteine Decarboxylases TvaF from Thioviridamide Biosynthesis 分子名称: FLAVIN MONONUCLEOTIDE, Putative flavoprotein decarboxylase 著者 Li, J, Lu, J, Wang, H, Zhu, J. 登録日 2019-03-06 公開日 2019-06-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Characterization of the FMN-Dependent Cysteine Decarboxylase from Thioviridamide Biosynthesis. Org.Lett., 21, 2019
8SM7	Air-oxidized G. y4 TruffO expressed from M9 minimal medium supplemented with Fe 分子名称: Amidohydrolase 2, FE (III) ION, SODIUM ION 著者 Liu, C, Rittle, J. 登録日 2023-04-25 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Bioinformatic Discovery of a Cambialistic Monooxygenase. J.Am.Chem.Soc., 146, 2024
7AVS	Crystal structure of SOS1 in complex with compound 6 分子名称: 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 著者 Bader, G, Kessler, D, Wolkerstorfer, B. 登録日 2020-11-06 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
8AO2	Specific covalent inhibitor (3) of ERK2 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.796 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOD	Specific covalent inhibitor(14) of ERK2 分子名称: 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8SD7	Carbonic anhydrase II radiation damage RT 61-90 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.704 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
6JMW	Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ... 著者 Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. 登録日 2019-03-13 公開日 2020-03-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
7RC2	Aeronamide N-methyltransferase, AerE 分子名称: CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... 著者 Cogan, D.P, Reyes, R, Nair, S.K. 登録日 2021-07-07 公開日 2022-03-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022
7AY0	Crystal structure of truncated USP1-UAF1 分子名称: Ubiquitin carboxyl-terminal hydrolase 1, WD repeat-containing protein 48, ZINC ION 著者 Arkinson, C, Rennie, M.L, Walden, H. 登録日 2020-11-10 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.6 Å) 主引用文献 Structural basis of FANCD2 deubiquitination by USP1-UAF1. Nat.Struct.Mol.Biol., 28, 2021
8T48	The N4BP1 CUE-like domain in complex with linear di-Ubiquitin 分子名称: Di-Ubiquitin, GLYCEROL, LITHIUM ION, ... 著者 Schubert, A.F, Harris, S.F. 登録日 2023-06-08 公開日 2024-03-13 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 N4BP1 coordinates ubiquitin-dependent crosstalk within the I kappa B kinase family to limit Toll-like receptor signaling and inflammation. Immunity, 57, 2024
6D5K	Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. 登録日 2018-04-19 公開日 2018-10-10 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy. J. Am. Chem. Soc., 140, 2018
7B64	Structure of NUDT15 V18I Mutant in complex with TH7755 分子名称: (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 著者 Rehling, D, Stenmark, P. 登録日 2020-12-07 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
7AVU	Crystal structure of SOS1 in complex with compound 8 分子名称: IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine 著者 Bader, G, Kessler, D, Wolkerstorfer, B. 登録日 2020-11-06 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
8AO7	Specific covalent inhibitor (8) of ERK2 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
7AVL	Crystal structure of SOS1 in complex with compound 4 分子名称: 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 著者 Bader, G, Kessler, D, Wolkerstorfer, B. 登録日 2020-11-05 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.718 Å) 主引用文献 One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
8AOE	Specific covalent inhibitor(15) of ERK2 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2023-05-24 実験手法 X-RAY DIFFRACTION (1.687 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
7B65	Structure of NUDT15 R139C Mutant in complex with TH7755 分子名称: (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 著者 Rehling, D, Stenmark, P. 登録日 2020-12-07 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
7RC3	Aeronamide N-methyltransferase, AerE (Y137F) 分子名称: ASPARTIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ... 著者 Cogan, D.P, Reyes, R, Nair, S.K. 登録日 2021-07-07 公開日 2022-03-30 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022
6DCY	The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid 分子名称: 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein 著者 Dick, B.L, Morrison, C.N, Cohen, S.M. 登録日 2018-05-08 公開日 2018-11-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J. Med. Chem., 61, 2018
7B63	Structure of NUDT15 in complex with TH7755 分子名称: (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 著者 Rehling, D, Stenmark, P. 登録日 2020-12-07 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
7B66	Structure of NUDT15 R139H Mutant in complex with TH7755 分子名称: (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 著者 Rehling, D, Stenmark, P. 登録日 2020-12-07 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
8SW9	Plasmodium falciparum M17 (A460S) mutant 分子名称: CARBONATE ION, Leucine aminopeptidase, PENTAETHYLENE GLYCOL, ... 著者 McGowan, S, Suraweera, C, Drinkwater, N. 登録日 2023-05-17 公開日 2024-04-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties. Mbio, 2024
7AVV	Crystal structure of SOS1 in complex with compound 9 分子名称: IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine 著者 Bader, G, Kessler, D, Wolkerstorfer, B. 登録日 2020-11-06 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
7RC6	Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34 分子名称: Aeronamide A peptide, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... 著者 Cogan, D.P, Reyes, R, Nair, S.K. 登録日 2021-07-07 公開日 2022-03-30 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022

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