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7YXE
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BU of 7yxe by Molmil
Crystal structure of YTHDF2 with compound ZA_143
分子名称: GLYCEROL, SODIUM ION, SULFATE ION, ...
著者Nai, F, Zalesak, F, Li, Y, Caflisch, A.
登録日2022-02-15
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z26
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BU of 7z26 by Molmil
Crystal structure of YTHDF2 YTH domain in complex with m6A RNA
分子名称: GLYCEROL, RNA (5'-R(P*(6MZ)P*CP*U)-3'), SULFATE ION, ...
著者Nai, F, Nachawati, R, Li, Y, Caflisch, A.
登録日2022-02-25
公開日2022-03-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z4U
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BU of 7z4u by Molmil
Crystal structure of YTHDF2 with compound YLI_DF_028
分子名称: 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione, CHLORIDE ION, GLYCEROL, ...
著者Nai, F, Li, Y, Caflisch, A.
登録日2022-03-04
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7YWB
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BU of 7ywb by Molmil
Crystal structure of YTHDF2 in complex with N6-Methyladenine
分子名称: CHLORIDE ION, GLYCEROL, N-METHYL-9H-PURIN-6-AMINE, ...
著者Nai, F, Li, Y, Caflisch, A.
登録日2022-02-12
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z7F
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BU of 7z7f by Molmil
Crystal structure of YTHDF2 with compound YLI_DC1_005
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Nai, F, Li, Y, Dolbois, A, Caflisch, A.
登録日2022-03-15
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z8W
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BU of 7z8w by Molmil
Crystal structure of YTHDF2 with compound YLI_DC1_018
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Nai, F, Li, Y, Caflisch, A.
登録日2022-03-18
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z93
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BU of 7z93 by Molmil
Crystal structure of YTHDF2 with compound YLI_DF_022
分子名称: 5-azanyl-6-ethyl-1H-pyrimidine-2,4-dione, CHLORIDE ION, SULFATE ION, ...
著者Nai, F, Li, Y, Caflisch, A.
登録日2022-03-19
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z8P
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BU of 7z8p by Molmil
Crystal structure of YTHDF2 with compound ZA_166
分子名称: 3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, GLYCEROL, SULFATE ION, ...
著者Nai, F, Zalesak, F, Li, Y, Caflisch, A.
登録日2022-03-18
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z92
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BU of 7z92 by Molmil
Crystal structure of YTHDF2 with compound YLI_DF_024
分子名称: 5-azanyl-3,6-dimethyl-1H-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing family protein 2
著者Nai, F, Li, Y, Caflisch, A.
登録日2022-03-19
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z8X
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BU of 7z8x by Molmil
Crystal structure of YTHDF2 with compound YLI_DC1_017
分子名称: 6-methoxy-1H-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing family protein 2
著者Nachawati, R, Nai, F, Li, Y, Caflisch, A.
登録日2022-03-18
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7ZG4
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BU of 7zg4 by Molmil
Crystal structure of YTHDF2 with compound YLI_DF_042
分子名称: GLYCEROL, N-methylpyrimidine-2-carboximidamide, SULFATE ION, ...
著者Nai, F, Li, Y, Caflisch, A.
登録日2022-04-01
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z7B
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BU of 7z7b by Molmil
Crystal structure of YTHDF2 with compound YLI_DC1_003
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Nai, F, Li, Y, Dolbois, A, Caflisch, A.
登録日2022-03-15
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z5M
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BU of 7z5m by Molmil
Crystal structure of YTHDF2 with compound YLI_DC1_008
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Nai, F, Li, Y, Caflisch, A.
登録日2022-03-09
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7Z54
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BU of 7z54 by Molmil
Crystal structure of YTHDF2 with compound YLI_DC1_006
分子名称: 9-cyclopropyl-~{N}-methyl-purin-6-amine, CHLORIDE ION, GLYCEROL, ...
著者Nai, F, Li, Y, Dolbois, A, Caflisch, A.
登録日2022-03-07
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
1QYX
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BU of 1qyx by Molmil
Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with androstenedione and NADP
分子名称: 4-ANDROSTENE-3-17-DIONE, Estradiol 17 beta-dehydrogenase 1, GLYCEROL, ...
著者Shi, R, Lin, S.X.
登録日2003-09-12
公開日2004-08-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Cofactor hydrogen bonding onto the protein main chain is conserved in the short chain dehydrogenase/reductase family and contributes to nicotinamide orientation.
J.Biol.Chem., 279, 2004
1QYV
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BU of 1qyv by Molmil
Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with NADP
分子名称: Estradiol 17 beta-dehydrogenase 1, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Shi, R, Lin, S.X.
登録日2003-09-12
公開日2004-08-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Cofactor hydrogen bonding onto the protein main chain is conserved in the short chain dehydrogenase/reductase family and contributes to nicotinamide orientation.
J.Biol.Chem., 279, 2004
1W86
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BU of 1w86 by Molmil
Solution structure of an dsDNA:LNA triplex
分子名称: INTRAMOLECULAR DSDNA-LNA TRIPLEX
著者Sorensen, J.J, Nielsen, J.T, Petersen, M.
登録日2004-09-16
公開日2004-11-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of a DsDNA:Lna Triplex
Nucleic Acids Res., 32, 2004
1VZI
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BU of 1vzi by Molmil
Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction
分子名称: CALCIUM ION, CHLORIDE ION, DESULFOFERRODOXIN, ...
著者Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D.
登録日2004-05-19
公開日2004-08-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction.
Structure, 12, 2004
5AYG
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BU of 5ayg by Molmil
Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g
分子名称: 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma
著者Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T.
登録日2015-08-20
公開日2016-03-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor
Acs Med.Chem.Lett., 7, 2016
5C42
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BU of 5c42 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K101P) Variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 Reverse Transcriptase, p51 subunit, ...
著者Frey, K.M, Gray, W.T, Anderson, K.S.
登録日2015-06-17
公開日2015-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance.
Acs Med.Chem.Lett., 6, 2015
5BVN
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BU of 5bvn by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
分子名称: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
著者Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
登録日2015-06-05
公開日2015-08-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5C5Q
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BU of 5c5q by Molmil
CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR
分子名称: (3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ...
著者Lukacs, C.M, Janson, C.A.
登録日2015-06-21
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5CCM
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BU of 5ccm by Molmil
Crystal structure of SMYD3 with SAM and EPZ030456
分子名称: 6-chloranyl-2-oxidanylidene-N-[(1S,5R)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Boriack-Sjodin, P.A.
登録日2015-07-02
公開日2015-09-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor.
Acs Med.Chem.Lett., 7, 2016
5C5P
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BU of 5c5p by Molmil
CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR
分子名称: (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ...
著者Lukacs, C.M, Janson, C.A.
登録日2015-06-21
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5C5R
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BU of 5c5r by Molmil
CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR
分子名称: (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile, SULFATE ION, Tankyrase-2, ...
著者Lukacs, C.M, Janson, C.A.
登録日2015-06-21
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.
Acs Med.Chem.Lett., 6, 2015

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