PDB: 82129 件ウェブページステータス検索Chemie searchBIRD

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8FJY	Human GAR transformylase in complex with GAR substrate and AGF291 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-20 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.98 Å) 主引用文献 Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
8FJX	Human GAR transformylase in complex with GAR substrate and AGF320 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-20 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
8FJW	Human GAR transformylase in complex with GAR substrate and AGF347 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-20 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
8FJV	Human GAR transformylase in complex with GAR substrate and AGF362 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-20 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
8FJU	Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor 分子名称: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Serine hydroxymethyltransferase, ... 著者 Katinas, J.M, Dann III, C.E. 登録日 2022-12-20 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
8FJT	Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF362 inhibitor 分子名称: GLYCINE, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, ... 著者 Katinas, J.M, Dann III, C.E. 登録日 2022-12-20 公開日 2023-09-06 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
8FJN	Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - C2221 space group 分子名称: CALCIUM ION, CHLORIDE ION, Histone-lysine N-methyltransferase, ... 著者 Frisbie, V.S, Hashimoto, H, Debler, E.W. 登録日 2022-12-20 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure and Mechanism of the atypical Trypanosoma brucei DOT1A histone H3K76 methyltransferase To Be Published
8FJM	Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - P212121 space group 分子名称: ACETATE ION, CALCIUM ION, Histone-lysine N-methyltransferase, ... 著者 Frisbie, V.S, Hashimoto, H, Debler, E.W. 登録日 2022-12-20 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure and Mechanism of the atypical Trypanosoma brucei DOT1A histone H3K76 methyltransferase To Be Published
8FJI	Crystal structure of RalA in a covalent complex with SOF-367 分子名称: 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. 登録日 2022-12-19 公開日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation. Chemmedchem, 18, 2023
8FJH	Crystal structure of RalA in a covalent complex with SOF-531 分子名称: 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. 登録日 2022-12-19 公開日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation. Chemmedchem, 18, 2023
8FJ7	LSD1-CoREST in complex with T108 and SNAG peptide 分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... 著者 Caroli, J, Mattevi, A. 登録日 2022-12-19 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
8FJ6	LSD1-CoREST in complex with T108, long soaking 分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate 著者 Caroli, J, Mattevi, A. 登録日 2022-12-19 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.63 Å) 主引用文献 Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
8FJ3	Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL7(Y13A) 分子名称: C-C motif chemokine 7, Evasin P1243 著者 Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. 登録日 2022-12-19 公開日 2023-03-29 最終更新日 2023-07-26 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun, 14, 2023
8FJ2	Crystal Structure of the Tick Evasin EVA-AAM1001(C8) Complexed to Human Chemokine CCL17 分子名称: C-C motif chemokine 17, Evasin P1243 著者 Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. 登録日 2022-12-19 公開日 2023-03-29 最終更新日 2023-07-26 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun, 14, 2023
8FJ0	Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL2 分子名称: C-C motif chemokine 2, Evasin P1243 著者 Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. 登録日 2022-12-18 公開日 2023-03-29 最終更新日 2023-07-26 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun, 14, 2023
8FIV	Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R 分子名称: (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide, 3C-like proteinase nsp5 著者 Sacco, M, Wang, J, Chen, Y. 登録日 2022-12-16 公開日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors. Eur.J.Med.Chem., 259, 2023
8FIS	Structure of Bispecific CAP256V2LS-J3 Fab in complex with BG505 DS-SOSIP.664 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... 著者 Gorman, J, Kwong, P.D. 登録日 2022-12-16 公開日 2023-02-01 最終更新日 2023-02-15 実験手法 ELECTRON MICROSCOPY (3.18 Å) 主引用文献 Bispecific antibody CAP256.J3LS targets V2-apex and CD4-binding sites with high breadth and potency. Mabs, 15, 2023
8FIG	Room-temperature X-ray structure of SARS-CoV-2 main protease double mutant E290A/R298A in complex with GC373 分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide 著者 Kovalevsky, A, Coates, L, Kneller, D.W. 登録日 2022-12-16 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Insights into the mechanism of SARS-CoV-2 main protease autocatalytic maturation from model precursors. Commun Biol, 6, 2023
8FIA	The structure of fly Teneurin self assembly 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... 著者 Bandekar, S.J, Li, J, Arac, D. 登録日 2022-12-15 公開日 2023-05-03 最終更新日 2023-06-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The structure of fly Teneurin-m reveals an asymmetric self-assembly that allows expansion into zippers. Embo Rep., 24, 2023
8FI9	Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5001 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... 著者 Sankhala, R.S, Jensen, J.L, Joyce, M.G. 登録日 2022-12-15 公開日 2024-01-17 実験手法 X-RAY DIFFRACTION (4.2 Å) 主引用文献 Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques. Nat Commun, 15, 2024
8FHY	Crystal structure of the SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5021 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MALONATE ION, ... 著者 Sankhala, R.S, Jensen, J.L, Joyce, M.G. 登録日 2022-12-15 公開日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques. Nat Commun, 15, 2024
8FHW	Cryo-EM structure of Cryptococcus neoformans trehalose-6-phosphate synthase homotetramer in complex with uridine diphosphate and glucose-6-phosphate 分子名称: 6-O-phosphono-alpha-D-glucopyranose, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), URIDINE-5'-DIPHOSPHATE 著者 Washington, E.J, Brennan, R.G. 登録日 2022-12-15 公開日 2023-12-20 最終更新日 2024-06-26 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Structures of trehalose-6-phosphate synthase, Tps1, from the fungal pathogen Cryptococcus neoformans : a target for novel antifungals. Biorxiv, 2024
8FHS	Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution 分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Gao, S, Yao, X, Yan, N. 登録日 2022-12-15 公開日 2023-12-13 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
8FHM	RNase A-Uridine 5'-Hexaphosphate (RNaseA.p6U) 分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic 著者 Park, G, Cummins, C. 登録日 2022-12-14 公開日 2023-12-20 実験手法 SOLUTION SCATTERING (1.79 Å), X-RAY DIFFRACTION 主引用文献 Experimental and Computational Studies for the Effect of Lengthening the Phosphate Chain of Nucleotide on the RNase A inhibitors. To Be Published
8FHJ	Crystal structure of a FAD monooxygenease from Methylocystis sp. Strain SB2 分子名称: BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Stewart, A.M, Sawaya, M.R, Stewart, C.E. 登録日 2022-12-14 公開日 2023-05-03 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2. Acta Crystallogr.,Sect.F, 79, 2023

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