1NDE
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![BU of 1nde by Molmil](/molmil-images/mine/1nde) | Estrogen Receptor beta with Selective Triazine Modulator | Descriptor: | 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta | Authors: | Henke, B.R, Consler, T.G, Go, N, Hale, R.L, Hohman, D.R, Jones, S.A, Lu, A.T, Moore, L.B, Moore, J.T, Orband-Miller, L.A, Robinett, R.G, Shearin, J, Spearing, P.K, Stewart, E.L, Turnbull, P.S, Weaver, S.L, Williams, S.P, Wisely, G.B, Lambert, M.H. | Deposit date: | 2002-12-09 | Release date: | 2002-12-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta J.Med.Chem., 45, 2002
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2GPV
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![BU of 2gpv by Molmil](/molmil-images/mine/2gpv) | Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT peptide | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma, Nuclear receptor corepressor 2 | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | Deposit date: | 2006-04-18 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
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5YP6
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![BU of 5yp6 by Molmil](/molmil-images/mine/5yp6) | RORgamma (263-509) complexed with SRC2 and Compound 6 | Descriptor: | N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2 | Authors: | Gao, M, Cai, W. | Deposit date: | 2017-11-01 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists ACS Med Chem Lett, 9, 2018
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5YP5
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![BU of 5yp5 by Molmil](/molmil-images/mine/5yp5) | Crystal structure of RORgamma complexed with SRC2 and compound 5d | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide | Authors: | Gao, M, Cai, W, Chunwa, C. | Deposit date: | 2017-11-01 | Release date: | 2018-04-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists ACS Med Chem Lett, 9, 2018
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6ZTC
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![BU of 6ztc by Molmil](/molmil-images/mine/6ztc) | CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION. | Descriptor: | 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one, GLUTATHIONE, GLYCEROL, ... | Authors: | Somers, D.O. | Deposit date: | 2020-07-17 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorg.Med.Chem.Lett., 47, 2021
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4XT9
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![BU of 4xt9 by Molmil](/molmil-images/mine/4xt9) | RORgamma (263-509) complexed with GSK2435341A and SRC2 | Descriptor: | LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ... | Authors: | Wang, Y, Ma, Y. | Deposit date: | 2015-01-23 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists Bioorg.Med.Chem., 23, 2015
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2GPO
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![BU of 2gpo by Molmil](/molmil-images/mine/2gpo) | Estrogen Related Receptor-gamma ligand binding domain complexed with a synthetic peptide from RIP140 | Descriptor: | Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | Deposit date: | 2006-04-18 | Release date: | 2006-09-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
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2GPU
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![BU of 2gpu by Molmil](/molmil-images/mine/2gpu) | Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-Miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | Deposit date: | 2006-04-18 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
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2GPP
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![BU of 2gpp by Molmil](/molmil-images/mine/2gpp) | Estrogen Related Receptor-gamma ligand binding domain complexed with a RIP140 peptide and synthetic ligand GSK4716 | Descriptor: | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | Deposit date: | 2006-04-18 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
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2GP7
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![BU of 2gp7 by Molmil](/molmil-images/mine/2gp7) | Estrogen Related Receptor-gamma ligand binding domain | Descriptor: | CALCIUM ION, Estrogen-related receptor gamma | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | Deposit date: | 2006-04-17 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
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2EWP
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![BU of 2ewp by Molmil](/molmil-images/mine/2ewp) | |
4NIE
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![BU of 4nie by Molmil](/molmil-images/mine/4nie) | |
3PLZ
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![BU of 3plz by Molmil](/molmil-images/mine/3plz) | Human LRH1 LBD bound to GR470 | Descriptor: | (3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1H)-amine, 1,2-ETHANEDIOL, FTZ-F1 related protein, ... | Authors: | Williams, S.P, Xu, R, Zuercher, W.J. | Deposit date: | 2010-11-15 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Small Molecule Agonists of the Orphan Nuclear Receptors Steroidogenic Factor-1 (SF-1, NR5A1) and Liver Receptor Homologue-1 (LRH-1, NR5A2). J.Med.Chem., 54, 2011
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6N4E
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![BU of 6n4e by Molmil](/molmil-images/mine/6n4e) | hPGDS complexed with a quinoline-3-carboxamide | Descriptor: | 7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase | Authors: | Shewchuk, L.M, Ward, P. | Deposit date: | 2018-11-19 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors. Bioorg. Med. Chem., 27, 2019
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6N69
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![BU of 6n69 by Molmil](/molmil-images/mine/6n69) | rat hPGDS complexed with a quinoline | Descriptor: | GLUTATHIONE, Hematopoietic prostaglandin D synthase, quinoline-3-carbonitrile | Authors: | Shewchuk, L.M, Cleasby, A. | Deposit date: | 2018-11-26 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors. Bioorg. Med. Chem., 27, 2019
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3DT3
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![BU of 3dt3 by Molmil](/molmil-images/mine/3dt3) | Human Estrogen receptor alpha LBD with GW368 | Descriptor: | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol, Estrogen receptor | Authors: | Williams, S.P, Miller, A.B. | Deposit date: | 2008-07-14 | Release date: | 2008-09-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis of 3-alkyl naphthalenes as novel estrogen receptor ligands. Bioorg.Med.Chem.Lett., 18, 2008
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7JR6
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![BU of 7jr6 by Molmil](/molmil-images/mine/7jr6) | H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | Descriptor: | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | Authors: | Nolte, R.T, Somers, D.O, Gampe, R.T. | Deposit date: | 2020-08-11 | Release date: | 2021-05-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorg.Med.Chem.Lett., 47, 2021
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7JR8
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![BU of 7jr8 by Molmil](/molmil-images/mine/7jr8) | H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTATHIONE, ... | Authors: | Nolte, R.T, Somers, D.O, Gampe, R.T. | Deposit date: | 2020-08-11 | Release date: | 2021-05-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorg.Med.Chem.Lett., 47, 2021
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