7KIB
 
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4 | | 分子名称: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Palte, R.L, Hayes, R.P. | | 登録日 | 2020-10-23 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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3AGB
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6Y1L
 | | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47R mutant | | 分子名称: | DIETHYL PHOSPHONATE, FAB A.17 L47R mutant HEAVY CHAIN, FAB A.17 L47R mutant Light CHAIN, ... | | 著者 | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | 登録日 | 2020-02-12 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y49
 | | Crystal structure of the paraoxon-modified A.17kappa antibody FAB fragment | | 分子名称: | A.17kappa antibody FAB fragment - Heavy Chain, A.17kappa antibody FAB fragment - Light Chain, DIETHYL PHOSPHONATE | | 著者 | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | 登録日 | 2020-02-19 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3B7N
 | | Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylinositol | | 分子名称: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ACETATE ION, PHOSPHATE ION, ... | | 著者 | Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V. | | 登録日 | 2007-10-31 | | 公開日 | 2008-02-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily
Mol.Cell, 29, 2008
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3B7Z
 | | Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylcholine or Phosphatidylinositol | | 分子名称: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Uncharacterized protein YKL091C | | 著者 | Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V. | | 登録日 | 2007-10-31 | | 公開日 | 2008-02-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily
Mol.Cell, 29, 2008
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7D8Q
 | | The structure of nucleotide phosphatase Sa1684 complex with GDP analogue from Staphylococcus aureus | | 分子名称: | MAGNESIUM ION, UPF0374 protein SAB1800c, [(2R,3R,4S,5S)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate | | 著者 | Wang, Z, Li, X. | | 登録日 | 2020-10-09 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The structural mechanism for the nucleoside tri- and diphosphate hydrolysis activity of Ntdp from Staphylococcus aureus.
Febs J., 288, 2021
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6Y1K
 | | Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant | | 分子名称: | FAB A.17 L47R mutant Heavy Chain, FAB A.17 L47R mutant Light Chain | | 著者 | Chatziefthimiou, S, Stepanova, A, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | 登録日 | 2020-02-12 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7L1G
 | | PRMT5-MEP50 Complexed with SAM | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Methylosome protein 50, ... | | 著者 | Palte, R.L. | | 登録日 | 2020-12-14 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Development of a Flexible and Robust Synthesis of Tetrahydrofuro[3,4- b ]furan Nucleoside Analogues.
J.Org.Chem., 86, 2021
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3C7A
 | | A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH) | | 分子名称: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase | | 著者 | Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K. | | 登録日 | 2008-02-07 | | 公開日 | 2008-07-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
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6Y1M
 | | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47K mutant | | 分子名称: | DIETHYL PHOSPHONATE, FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light CHAIN | | 著者 | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | 登録日 | 2020-02-12 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3B74
 | | Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylethanolamine | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Uncharacterized protein YKL091C | | 著者 | Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V. | | 登録日 | 2007-10-30 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily
Mol.Cell, 29, 2008
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8X22
 | | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:dGTP ternary complex | | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | | 著者 | Yasutake, Y, Hattori, S.I, Mitsuya, H. | | 登録日 | 2023-11-09 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations.
Sci Rep, 14, 2024
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8X21
 | | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:ETV-TP ternary complex | | 分子名称: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | 著者 | Yasutake, Y, Hattori, S.I, Mitsuya, H. | | 登録日 | 2023-11-09 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations.
Sci Rep, 14, 2024
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8X1Z
 | | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y:DNA:E-CFCP-TP ternary complex | | 分子名称: | DNA/RNA (38-MER), E-CFCP-triphosphate, GLYCEROL, ... | | 著者 | Yasutake, Y, Hattori, S.I, Mitsuya, H. | | 登録日 | 2023-11-09 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations.
Sci Rep, 14, 2024
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8X20
 | | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:E-CFCP-TP ternary complex | | 分子名称: | DNA/RNA (38-MER), E-CFCP-triphosphate, GLYCEROL, ... | | 著者 | Yasutake, Y, Hattori, S.I, Mitsuya, H. | | 登録日 | 2023-11-09 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations.
Sci Rep, 14, 2024
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3C7D
 | | A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH-Pyruvate) | | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase, PYRUVIC ACID | | 著者 | Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K. | | 登録日 | 2008-02-07 | | 公開日 | 2008-07-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
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3AGC
 | | F218V mutant of the substrate-bound red chlorophyll catabolite reductase from Arabidopsis thaliana | | 分子名称: | 3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid, Red chlorophyll catabolite reductase, chloroplastic, ... | | 著者 | Sugishima, M, Fukuyama, K. | | 登録日 | 2010-03-30 | | 公開日 | 2010-09-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of the substrate-bound forms of red chlorophyll catabolite reductase: implications for site-specific and stereospecific reaction
J.Mol.Biol., 402, 2010
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3AGA
 | | Crystal structure of RCC-bound red chlorophyll catabolite reductase from Arabidopsis thaliana | | 分子名称: | 3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid, Red chlorophyll catabolite reductase, chloroplastic, ... | | 著者 | Sugishima, M, Fukuyama, K. | | 登録日 | 2010-03-30 | | 公開日 | 2010-09-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structures of the substrate-bound forms of red chlorophyll catabolite reductase: implications for site-specific and stereospecific reaction
J.Mol.Biol., 402, 2010
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7DMN
 | | Crystal structure of two pericyclases catalyzing [4+2] cycloaddition | | 分子名称: | Diels-Alderase fsa2, GLYCEROL | | 著者 | Chi, C.B, Wang, Z.D, Liu, T, Zhang, Z.Y, Ma, M. | | 登録日 | 2020-12-04 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6, 2021
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7DMO
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3B7Q
 | | Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylcholine | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V. | | 登録日 | 2007-10-31 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily
Mol.Cell, 29, 2008
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3C7C
 | | A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH-L-Arginine) | | 分子名称: | ARGININE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase | | 著者 | Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K. | | 登録日 | 2008-02-07 | | 公開日 | 2008-07-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
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9I81
 | | SARS-CoV-2 RdRp bound to a stack of three HeE1-2Tyr molecules | | 分子名称: | N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine, Non-structural protein 7, Non-structural protein 8, ... | | 著者 | Kabinger, F, Doze, V, Schmitzova, J, Lidschreiber, M, Dienemann, C, Cramer, P. | | 登録日 | 2025-02-04 | | 公開日 | 2025-03-05 | | 最終更新日 | 2025-03-26 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Structural basis of SARS-CoV-2 polymerase inhibition by nonnucleoside inhibitor HeE1-2Tyr.
Proc.Natl.Acad.Sci.USA, 122, 2025
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8R5V
 | | Crystal structure of bovine pancreatic ribonuclease A in complex with [Sp-PS]-mU-dT dinucleotide | | 分子名称: | 1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, DICHLORO-ACETIC ACID, Ribonuclease pancreatic | | 著者 | Dolot, R, Jastrzebska, K, Antonczyk, P. | | 登録日 | 2023-11-17 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | P-Stereodefined morpholino dinucleoside 3',5'-phosphorothioates.
Org.Biomol.Chem., 22, 2024
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