4EGY
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![BU of 4egy by Molmil](/molmil-images/mine/4egy) | Crystal Structure of AraR(DBD) in complex with operator ORA1 | Descriptor: | 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, ... | Authors: | Jain, D, Nair, D.T. | Deposit date: | 2012-04-02 | Release date: | 2013-02-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Spacing between core recognition motifs determines relative orientation of AraR monomers on bipartite operators. Nucleic Acids Res., 41, 2013
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4G2O
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4G6W
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![BU of 4g6w by Molmil](/molmil-images/mine/4g6w) | Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol | Descriptor: | 4-bromobenzene-1,2,3-triol, SULFATE ION, Thymidylate synthase | Authors: | Celeste, L.R, Lebioda, L. | Deposit date: | 2012-07-19 | Release date: | 2013-07-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin To be Published, 2012
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4BL9
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![BU of 4bl9 by Molmil](/molmil-images/mine/4bl9) | Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I) | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L. | Deposit date: | 2013-05-02 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D, 69, 2013
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4BLA
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![BU of 4bla by Molmil](/molmil-images/mine/4bla) | Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG | Authors: | Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L. | Deposit date: | 2013-05-02 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D, 69, 2013
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1P4A
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![BU of 1p4a by Molmil](/molmil-images/mine/1p4a) | Crystal Structure of the PurR complexed with cPRPP | Descriptor: | 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, Pur operon repressor | Authors: | Bera, A.K, Zhu, J, Zalkin, H, Smith, J.L. | Deposit date: | 2003-04-22 | Release date: | 2003-12-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Functional dissection of the Bacillus subtilis pur operator site. J.Bacteriol., 185, 2003
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4H0E
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![BU of 4h0e by Molmil](/molmil-images/mine/4h0e) | Crystal Structure of mutant ORR3 in complex with NTD of AraR | Descriptor: | 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, ... | Authors: | Nair, D.T, Jain, D. | Deposit date: | 2012-09-08 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Spacing between core recognition motifs determines relative orientation of AraR monomers on bipartite operators. Nucleic Acids Res., 41, 2013
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3GLX
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![BU of 3glx by Molmil](/molmil-images/mine/3glx) | Crystal Structure Analysis of the DtxR(E175K) complexed with Ni(II) | Descriptor: | Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION | Authors: | D'Aquino, J.A, Denninger, A, Moulin, A, D'Aquino, K.E, Ringe, D. | Deposit date: | 2009-03-12 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Decreased sensitivity to changes in the concentration of metal ions as the basis for the hyperactivity of DtxR(E175K). J.Mol.Biol., 390, 2009
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2X0L
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![BU of 2x0l by Molmil](/molmil-images/mine/2x0l) | Crystal structure of a neuro-specific splicing variant of human histone lysine demethylase LSD1. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3 PEPTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Zibetti, C, Adamo, A, Binda, C, Forneris, F, Verpelli, C, Ginelli, E, Mattevi, A, Sala, C, Battaglioli, E. | Deposit date: | 2009-12-15 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Alternative Splicing of the Histone Demethylase Lsd1/Kdm1 Contributes to the Modulation of Neurite Morphogenesis in the Mammalian Nervous System. J.Neurosci., 30, 2010
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3BXH
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3BXG
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4KUM
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![BU of 4kum by Molmil](/molmil-images/mine/4kum) | Structure of LSD1-CoREST-Tetrahydrofolate complex | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Luka, Z, Pakhomova, S, Loukachevitch, L.V, Calcutt, M.W, Newcomer, M.E, Wagner, C. | Deposit date: | 2013-05-22 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of the histone lysine specific demethylase LSD1 complexed with tetrahydrofolate. Protein Sci., 23, 2014
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3BXE
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3AQS
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![BU of 3aqs by Molmil](/molmil-images/mine/3aqs) | Crystal structure of RolR (NCGL1110) without ligand | Descriptor: | Bacterial regulatory proteins, tetR family | Authors: | Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C. | Deposit date: | 2010-11-18 | Release date: | 2011-07-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator. Plos One, 6, 2011
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3BXF
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![BU of 3bxf by Molmil](/molmil-images/mine/3bxf) | Crystal structure of effector binding domain of central glycolytic gene regulator (CggR) from Bacillus subtilis in complex with effector fructose-1,6-bisphosphate | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, 1,6-di-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, ... | Authors: | Rezacova, P, Otwinowski, Z. | Deposit date: | 2008-01-13 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
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4HPM
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![BU of 4hpm by Molmil](/molmil-images/mine/4hpm) | PCGF1 Ub fold (RAWUL)/BCORL1 PUFD Complex | Descriptor: | BCL-6 corepressor-like protein 1, PHOSPHATE ION, Polycomb group RING finger protein 1 | Authors: | Junco, S.E, Wang, R, Gaipa, J, Taylor, A.B, Gearhart, M.D, Bardwell, V.J, Hart, P.J, Kim, C.A. | Deposit date: | 2012-10-24 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the Polycomb Group Protein PCGF1 in Complex with BCOR Reveals Basis for Binding Selectivity of PCGF Homologs. Structure, 21, 2013
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3OQ5
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![BU of 3oq5 by Molmil](/molmil-images/mine/3oq5) | Crystal structure of the 3-MBT domain from human L3MBTL1 in complex with p53K382me1 | Descriptor: | Cellular tumor antigen p53, Lethal(3)malignant brain tumor-like protein | Authors: | Roy, S, West, L.E, Weiner, K.L, Hayashi, R, Shi, X, Appella, E, Gozani, O, Kutateladze, T. | Deposit date: | 2010-09-02 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5005 Å) | Cite: | The MBT Repeats of L3MBTL1 Link SET8-mediated p53 Methylation at Lysine 382 to Target Gene Repression. J.Biol.Chem., 285, 2010
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8B8X
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![BU of 8b8x by Molmil](/molmil-images/mine/8b8x) | Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist | Descriptor: | (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 | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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8B92
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![BU of 8b92 by Molmil](/molmil-images/mine/8b92) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound SI-2) | Descriptor: | 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, ... | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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8B93
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![BU of 8b93 by Molmil](/molmil-images/mine/8b93) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b) | Descriptor: | 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 | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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8B95
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![BU of 8b95 by Molmil](/molmil-images/mine/8b95) | Crystal structure of PPARG and NCOR2 with BAY-9683, an inverse agonist | Descriptor: | 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 | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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8B94
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![BU of 8b94 by Molmil](/molmil-images/mine/8b94) | Crystal structure of PPARG and NCOR2 with BAY-5516, an inverse agonist | Descriptor: | 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 | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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8B8Y
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![BU of 8b8y by Molmil](/molmil-images/mine/8b8y) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e) | Descriptor: | 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Holton, S.J, Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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8B8Z
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![BU of 8b8z by Molmil](/molmil-images/mine/8b8z) | Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound 7e) | Descriptor: | 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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8B8W
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![BU of 8b8w by Molmil](/molmil-images/mine/8b8w) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a) | Descriptor: | 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, GLYCEROL, Nuclear receptor corepressor 2, ... | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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