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5T31
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BU of 5t31 by Molmil
Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia
分子名称: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
著者Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J.
登録日2016-08-24
公開日2018-02-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
8IGZ
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BU of 8igz by Molmil
Xcc NAMPT Quadruple mutant
分子名称: Pre-B cell enhancing factor related protein
著者Xu, G.L, Ming, Z.H.
登録日2023-02-21
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural insights into Xanthomonas campestris pv. campestris NAD + biosynthesis via the NAM salvage pathway.
Commun Biol, 7, 2024
4ZO1
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BU of 4zo1 by Molmil
Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha
分子名称: 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ...
著者Bruning, J.B, Kojetin, D.J, Matta-Camacho, E, Hughes, T.S, Srinivasan, S, Nwachukwu, J.C, Cavett, V, Nowak, J, Chalmers, M.J, Marciano, D.P, Kamenecka, T.M, Rance, M, Shulman, A.I, Mangelsdorf, D.J, Griffin, P.R, Nettles, K.W.
登録日2015-05-05
公開日2015-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.221 Å)
主引用文献Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.
Nat Commun, 6, 2015
5SWW
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BU of 5sww by Molmil
Crystal Structure of Human APOBEC3A complexed with ssDNA
分子名称: DNA 15-Mer, DNA dC->dU-editing enzyme APOBEC-3A, GLYCEROL, ...
著者Shi, K, Banerjee, S, Kurahashi, K, Aihara, H.
登録日2016-08-09
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.151 Å)
主引用文献Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B.
Nat. Struct. Mol. Biol., 24, 2017
3B5R
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BU of 3b5r by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31
分子名称: (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-26
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
5TD5
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BU of 5td5 by Molmil
Crystal Structure of Human APOBEC3B variant complexed with ssDNA
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(P*TP*TP*CP*AP*T)-3'), ...
著者Shi, K, Banerjee, S, Kurahashi, K, Aihara, H.
登録日2016-09-16
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B.
Nat. Struct. Mol. Biol., 24, 2017
3B66
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BU of 3b66 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21
分子名称: 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B67
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BU of 3b67 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-23
分子名称: (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B65
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BU of 3b65 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24
分子名称: (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B68
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BU of 3b68 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4
分子名称: (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
7YO8
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BU of 7yo8 by Molmil
Crystal structure of fission yeast Hfl1 LIR fused to human GABARAPL2
分子名称: Transmembrane protein 184 homolog C30D11.06c,Gamma-aminobutyric acid receptor-associated protein-like 2
著者Yamasaki, A, Noda, N.N.
登録日2022-08-01
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献Development of new tools to study membrane-anchored mammalian Atg8 proteins.
Autophagy, 19, 2023
7YO9
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BU of 7yo9 by Molmil
Crystal structure of fusion protein of human TP53INP2 LIR and human GABARAP
分子名称: ISOPROPYL ALCOHOL, PHOSPHATE ION, Tumor protein p53-inducible nuclear protein 2,Gamma-aminobutyric acid receptor-associated protein
著者Yamasaki, A, Noda, N.N.
登録日2022-08-01
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of new tools to study membrane-anchored mammalian Atg8 proteins.
Autophagy, 19, 2023
4PKS
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BU of 4pks by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 11
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Lethal factor, ...
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKR
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BU of 4pkr by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 10
分子名称: CHLORIDE ION, GLYCEROL, Lethal factor, ...
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKU
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BU of 4pku by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 15
分子名称: Lethal factor, N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKW
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BU of 4pkw by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor GM6001
分子名称: 1,2-ETHANEDIOL, 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, GLYCEROL, ...
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKV
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BU of 4pkv by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 16
分子名称: Lethal factor, N~2~-[4-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
著者Maize, K.M, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKQ
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BU of 4pkq by Molmil
Anthrax toxin lethal factor with bound zinc
分子名称: 1,2-ETHANEDIOL, Lethal factor, TRIETHYLENE GLYCOL, ...
著者Maize, K.M, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKT
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BU of 4pkt by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 13
分子名称: Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(4-nitrobenzyl)-D-alaninamide, ZINC ION
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
1K4W
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BU of 1k4w by Molmil
X-ray structure of the orphan nuclear receptor ROR beta ligand-binding domain in the active conformation
分子名称: Nuclear receptor ROR-beta, STEARIC ACID, steroid receptor coactivator-1
著者Stehlin, C, Wurtz, J.M, Steinmetz, A, Greiner, E, Schuele, R, Moras, D, Renaud, J.P.
登録日2001-10-09
公開日2002-04-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray structure of the orphan nuclear receptor RORbeta ligand-binding domain in the active conformation.
EMBO J., 20, 2001
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