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4EGY
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BU of 4egy by Molmil
Crystal Structure of AraR(DBD) in complex with operator ORA1
分子名称: 5'-D(*AP*AP*AP*AP*TP*TP*GP*TP*TP*CP*GP*TP*AP*CP*AP*AP*AP*TP*AP*TP*T)-3', 5'-D(*TP*AP*AP*TP*AP*TP*TP*TP*GP*TP*AP*CP*GP*AP*AP*CP*AP*AP*TP*TP*T)-3', ACETATE ION, ...
著者Jain, D, Nair, D.T.
登録日2012-04-02
公開日2013-02-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Spacing between core recognition motifs determines relative orientation of AraR monomers on bipartite operators.
Nucleic Acids Res., 41, 2013
4G2O
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BU of 4g2o by Molmil
Human Thymidylate Synthase M190K with bound Purpurogallin
分子名称: 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, SULFATE ION, Thymidylate synthase
著者Celeste, L.R, Lebioda, L.
登録日2012-07-12
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published
4G6W
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BU of 4g6w by Molmil
Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol
分子名称: 4-bromobenzene-1,2,3-triol, SULFATE ION, Thymidylate synthase
著者Celeste, L.R, Lebioda, L.
登録日2012-07-19
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published, 2012
4BL9
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BU of 4bl9 by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I)
分子名称: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L.
登録日2013-05-02
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BLA
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BU of 4bla by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II)
分子名称: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG
著者Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L.
登録日2013-05-02
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
1P4A
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BU of 1p4a by Molmil
Crystal Structure of the PurR complexed with cPRPP
分子名称: 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, Pur operon repressor
著者Bera, A.K, Zhu, J, Zalkin, H, Smith, J.L.
登録日2003-04-22
公開日2003-12-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Functional dissection of the Bacillus subtilis pur operator site.
J.Bacteriol., 185, 2003
4H0E
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BU of 4h0e by Molmil
Crystal Structure of mutant ORR3 in complex with NTD of AraR
分子名称: 5'-D(*AP*AP*AP*TP*TP*TP*GP*TP*CP*CP*GP*TP*AP*CP*AP*TP*TP*TP*TP*AP*T)-3', 5'-D(*TP*AP*TP*AP*AP*AP*AP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*AP*AP*TP*T)-3', ACETATE ION, ...
著者Nair, D.T, Jain, D.
登録日2012-09-08
公開日2013-02-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Spacing between core recognition motifs determines relative orientation of AraR monomers on bipartite operators.
Nucleic Acids Res., 41, 2013
3GLX
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BU of 3glx by Molmil
Crystal Structure Analysis of the DtxR(E175K) complexed with Ni(II)
分子名称: Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION
著者D'Aquino, J.A, Denninger, A, Moulin, A, D'Aquino, K.E, Ringe, D.
登録日2009-03-12
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Decreased sensitivity to changes in the concentration of metal ions as the basis for the hyperactivity of DtxR(E175K).
J.Mol.Biol., 390, 2009
2X0L
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BU of 2x0l by Molmil
Crystal structure of a neuro-specific splicing variant of human histone lysine demethylase LSD1.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3 PEPTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
著者Zibetti, C, Adamo, A, Binda, C, Forneris, F, Verpelli, C, Ginelli, E, Mattevi, A, Sala, C, Battaglioli, E.
登録日2009-12-15
公開日2010-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Alternative Splicing of the Histone Demethylase Lsd1/Kdm1 Contributes to the Modulation of Neurite Morphogenesis in the Mammalian Nervous System.
J.Neurosci., 30, 2010
3BXH
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BU of 3bxh by Molmil
Crystal structure of effector binding domain of central glycolytic gene regulator (CggR) from Bacillus subtilis in complex with fructose-6-phosphate
分子名称: 6-O-phosphono-beta-D-fructofuranose, Central glycolytic gene regulator, THIOCYANATE ION
著者Rezacova, P, Otwinowski, Z.
登録日2008-01-13
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of the effector-binding domain of repressor Central glycolytic gene Regulator from Bacillus subtilis reveal ligand-induced structural changes upon binding of several glycolytic intermediates.
Mol.Microbiol., 69, 2008
3BXG
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BU of 3bxg by Molmil
Crystal structure of effector binding domain of central glycolytic gene regulator (CggR) from Bacillus subtilis in complex with glucose-6-phosphate
分子名称: 6-O-phosphono-beta-D-glucopyranose, Central glycolytic gene regulator
著者Rezacova, P, Otwinowski, Z.
登録日2008-01-13
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the effector-binding domain of repressor Central glycolytic gene Regulator from Bacillus subtilis reveal ligand-induced structural changes upon binding of several glycolytic intermediates.
Mol.Microbiol., 69, 2008
4KUM
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BU of 4kum by Molmil
Structure of LSD1-CoREST-Tetrahydrofolate complex
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Luka, Z, Pakhomova, S, Loukachevitch, L.V, Calcutt, M.W, Newcomer, M.E, Wagner, C.
登録日2013-05-22
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal structure of the histone lysine specific demethylase LSD1 complexed with tetrahydrofolate.
Protein Sci., 23, 2014
3BXE
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BU of 3bxe by Molmil
Crystal structure of effector binding domain of central glycolytic gene regulator (CggR) from Bacillus subtilis in complex with dihydroxyacetone phosphate
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Central glycolytic gene regulator
著者Rezacova, P, Otwinowski, Z.
登録日2008-01-13
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the effector-binding domain of repressor Central glycolytic gene Regulator from Bacillus subtilis reveal ligand-induced structural changes upon binding of several glycolytic intermediates.
Mol.Microbiol., 69, 2008
3AQS
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BU of 3aqs by Molmil
Crystal structure of RolR (NCGL1110) without ligand
分子名称: Bacterial regulatory proteins, tetR family
著者Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C.
登録日2010-11-18
公開日2011-07-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator.
Plos One, 6, 2011
3BXF
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BU of 3bxf by Molmil
Crystal structure of effector binding domain of central glycolytic gene regulator (CggR) from Bacillus subtilis in complex with effector fructose-1,6-bisphosphate
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, 1,6-di-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, ...
著者Rezacova, P, Otwinowski, Z.
登録日2008-01-13
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of the effector-binding domain of repressor Central glycolytic gene Regulator from Bacillus subtilis reveal ligand-induced structural changes upon binding of several glycolytic intermediates.
Mol.Microbiol., 69, 2008
4HPM
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BU of 4hpm by Molmil
PCGF1 Ub fold (RAWUL)/BCORL1 PUFD Complex
分子名称: BCL-6 corepressor-like protein 1, PHOSPHATE ION, Polycomb group RING finger protein 1
著者Junco, S.E, Wang, R, Gaipa, J, Taylor, A.B, Gearhart, M.D, Bardwell, V.J, Hart, P.J, Kim, C.A.
登録日2012-10-24
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the Polycomb Group Protein PCGF1 in Complex with BCOR Reveals Basis for Binding Selectivity of PCGF Homologs.
Structure, 21, 2013
3OQ5
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BU of 3oq5 by Molmil
Crystal structure of the 3-MBT domain from human L3MBTL1 in complex with p53K382me1
分子名称: Cellular tumor antigen p53, Lethal(3)malignant brain tumor-like protein
著者Roy, S, West, L.E, Weiner, K.L, Hayashi, R, Shi, X, Appella, E, Gozani, O, Kutateladze, T.
登録日2010-09-02
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5005 Å)
主引用文献The MBT Repeats of L3MBTL1 Link SET8-mediated p53 Methylation at Lysine 382 to Target Gene Repression.
J.Biol.Chem., 285, 2010
8B8X
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BU of 8b8x by Molmil
Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist
分子名称: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B92
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Crystal structure of PPARG and NCOR2 with an inverse agonist (compound SI-2)
分子名称: 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ...
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B93
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BU of 8b93 by Molmil
Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b)
分子名称: 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B95
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Crystal structure of PPARG and NCOR2 with BAY-9683, an inverse agonist
分子名称: Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B94
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Crystal structure of PPARG and NCOR2 with BAY-5516, an inverse agonist
分子名称: Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B8Y
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BU of 8b8y by Molmil
Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e)
分子名称: 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Holton, S.J, Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B8Z
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Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound 7e)
分子名称: 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B8W
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Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a)
分子名称: 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, GLYCEROL, Nuclear receptor corepressor 2, ...
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022

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