PDB: 243911 件ウェブページステータス検索Chemie searchBIRD

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1M7Q	Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor 分子名称: 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION 著者 Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B. 登録日 2002-07-22 公開日 2002-12-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 13, 2003
9GBJ	KRAS G12D in complex with covalent inhibitor 分子名称: 1-[(3S)-1-[2-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]-6-[(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyrimidin-4-yl]pyrrolidin-3-yl]-3-[1-(methoxymethyl)cyclopropyl]urea, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Sirocchi, L.S, Zak, K.M, Wilding, B. 登録日 2024-07-31 公開日 2025-04-30 最終更新日 2025-05-21 実験手法 X-RAY DIFFRACTION (1.712 Å) 主引用文献 Discovery of Carbodiimide Warheads to Selectively and Covalently Target Aspartic Acid in KRAS G12D . J.Am.Chem.Soc., 147, 2025
1M5V	Transition State Stabilization by a Catalytic RNA 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, RNA HAIRPIN RIBOZYME, ... 著者 Rupert, P.B, Massey, A.P, Sigurdsson, S.T, Ferre-D'Amare, A.R. 登録日 2002-07-09 公開日 2002-10-12 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Transition state stabilization by a catalytic RNA Science, 298, 2002
2P3I	Crystal structure of Rhesus Rotavirus VP8* at 295K 分子名称: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, SULFATE ION, VP4 著者 Blanchard, H. 登録日 2007-03-09 公開日 2008-03-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein Glycobiology, 19, 2009
7RVP	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI14 分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide 著者 Yang, K, Sankaran, B, Liu, W. 登録日 2021-08-19 公開日 2022-07-20 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
1M69	Atomic Resolution Structure of 5Br-9amino-DACA with d[CGTACG]2 分子名称: 5'-D(*CP*GP*TP*AP*CP*G)-3', 5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-AMINOACRIDINE-4-CARBOXAMIDE, SPERMINE 著者 Teixeira, S.C.M, Thorpe, J.H, Todd, A.K, Cardin, C.J. 登録日 2002-07-15 公開日 2003-08-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Heavy Going: the Atomic Resolution Structure of a Topoisomerase II Poison Intercalating into DNA in Multiple Orientations Also Reveals a Multiple Adenine-Thymine Hydrogen Bonding Pattern To be Published
7RVN	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide 著者 Yang, K, Liu, W. 登録日 2021-08-19 公開日 2022-07-20 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7RVY	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI25 分子名称: 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide 著者 Yang, K, Liu, W. 登録日 2021-08-19 公開日 2022-07-20 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7RJ9	Crystal structure of the Vitronectin hemopexin-like domain binding Calcium 分子名称: CALCIUM ION, CHLORIDE ION, SODIUM ION, ... 著者 Aleshin, A.E, Marassi, F.M. 登録日 2021-07-20 公開日 2022-07-27 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of the Vitronectin hemopexin-like domain binding Calcium To Be Published
1M8P	Crystal Structure of P. chrysogenum ATP Sulfurylase in the T-state 分子名称: 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, sulfate adenylyltransferase 著者 MacRae, I.J, Segel, I.H, Fisher, A.J. 登録日 2002-07-25 公開日 2002-11-27 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Allosteric Inhibition via R-State Destabilization in ATP Sulfurylase from Penicillium chrysogenum Nat.Struct.Biol., 9, 2002
9FYU	Crystal structure of the engineered photoenzyme VEnT1.0 分子名称: 1,2-ETHANEDIOL, Diisopropyl-fluorophosphatase 著者 Hardy, F.J, Roberts, G.W. 登録日 2024-07-04 公開日 2025-05-14 最終更新日 2025-07-16 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Efficient and selective energy transfer photoenzymes powered by visible light. Nat.Chem., 17, 2025
7RHA	A new fluorescent protein darkmRuby at pH 5.0 分子名称: 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... 著者 Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J. 登録日 2021-07-16 公開日 2022-07-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of a new fluorescent protein darkmRuby at pH 5.0 To Be Published
1M6U	Crystal Structure of a Novel DNA-binding domain from Ndt80, a Transcriptional Activator Required for Meiosis in Yeast 分子名称: Ndt80 protein, SULFATE ION 著者 Montano, S.P, Cote, M.L, Fingerman, I, Pierce, M, Vershon, A.K, Georgiadis, M.M. 登録日 2002-07-17 公開日 2002-11-06 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of the DNA-binding domain from Ndt80, a transcriptional activator required for meiosis in yeast Proc.Natl.Acad.Sci.USA, 99, 2002
7RVT	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20 分子名称: 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide 著者 Yang, K, Sankaran, B, Liu, W. 登録日 2021-08-19 公開日 2022-07-20 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
9GS1	Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with Oxaziclomefone 分子名称: GLYCEROL, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... 著者 Montgomery, M.G. 登録日 2024-09-13 公開日 2025-05-14 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Scaffold-hopping, Bioisosterism and Structure-Based Design in the Development of Novel Acyl-ACP Thioesterase (Fat) Inhibitors as Potential Herbicides To Be Published
1M7H	Crystal Structure of APS kinase from Penicillium Chrysogenum: Structure with APS soaked out of one dimer 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Adenylylsulfate kinase, ... 著者 Lansdon, E.B, Sege, I.H, Fisher, A.J. 登録日 2002-07-19 公開日 2002-11-27 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Ligand-Induced Structural Changes in Adenosine 5'-Phosphosulfate Kinase from Penicillium chrysogenum. Biochemistry, 41, 2002
7RE9	TCR mimic antibody (Fab fragment) 分子名称: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain 著者 Dasgupta, M, Baker, B.M. 登録日 2021-07-12 公開日 2022-07-27 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma. Sci Rep, 12, 2022
9GS5	Cryo-EM structure of human SLC35B1-E33A variant with ADP in outward facing conformation 分子名称: ADENOSINE-5'-DIPHOSPHATE, Fv-MBP, Solute carrier family 35 member B1 著者 Gulati, A, Ahn, D, Suades, A, Drew, D. 登録日 2024-09-13 公開日 2025-05-21 最終更新日 2025-08-20 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Stepwise ATP translocation into the endoplasmic reticulum by human SLC35B1. Nature, 643, 2025
9GKN	Structure of HECT E3 TRIP12 forming K29-linked Ubiquitin chains 分子名称: 5-azanylpentan-2-one, Isoform 3 of E3 ubiquitin-protein ligase TRIP12, Polyubiquitin-C, ... 著者 Maiwald, S.A, Schulman, B.A. 登録日 2024-08-25 公開日 2025-05-21 最終更新日 2025-10-01 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 TRIP12 structures reveal HECT E3 formation of K29 linkages and branched ubiquitin chains. Nat.Struct.Mol.Biol., 32, 2025
9GSZ	Human monocarboxylate transporter 10 bound to L-thyroxine 分子名称: 3,5,3',5'-TETRAIODO-L-THYRONINE, Monocarboxylate transporter 10 著者 Coscia, F, Tassinari, M. 登録日 2024-09-16 公開日 2025-05-21 最終更新日 2025-06-11 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Molecular mechanism of thyroxine transport by monocarboxylate transporters. Nat Commun, 16, 2025
1M9Z	CRYSTAL STRUCTURE OF HUMAN TGF-BETA TYPE II RECEPTOR LIGAND BINDING DOMAIN 分子名称: GLYCEROL, TGF-BETA RECEPTOR TYPE II 著者 Boesen, C.C, Radaev, S, Motyka, S.A, Patamawenu, A, Sun, P.D. 登録日 2002-07-30 公開日 2002-09-11 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 THE 1.1A CRYSTAL STRUCTURE OF HUMAN TGF-BETA TYPE II RECEPTOR LIGAND BINDING DOMAIN Structure, 10, 2002
2PD3	Crystal Structure of the Helicobacter pylori Enoyl-Acyl Carrier Protein Reductase in Complex with Hydroxydiphenyl Ether Compounds, Triclosan and Diclosan 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN 著者 Lee, H.H, Moon, J.H, Suh, S.W. 登録日 2007-03-31 公開日 2007-04-17 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of the Helicobacter pylori enoyl-acyl carrier protein reductase in complex with hydroxydiphenyl ether compounds, triclosan and diclosan Proteins, 69, 2007
7REB	E. coli dihydrofolate reductase complexed with 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) 分子名称: 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION 著者 Lombardo, M.N, Wright, D.L. 登録日 2021-07-12 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
1MA1	Structure and properties of the atypical iron superoxide dismutase from Methanobacterium thermoautotrophicum 分子名称: FE (III) ION, superoxide dismutase 著者 Adams, J.J, Anderson, B.F, Renault, J.P, Verchere-Beaur, C, Morgenstern-Badarau, I, Jameson, G.B. 登録日 2002-07-31 公開日 2002-08-21 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure and properties of the atypical iron superoxide dismutase from Methanobacterium thermoautotrophicum To be published
7RHB	A new fluorescent protein darkmRuby at pH 8.0 分子名称: darkmRuby 著者 Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J. 登録日 2021-07-16 公開日 2022-07-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein To Be Published

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