6Q6O
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6Q6M
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6NAD
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6IVX
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![BU of 6ivx by Molmil](/molmil-images/mine/6ivx) | Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. | Descriptor: | (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | Authors: | Noguchi, M, Nomura, A, Doi, S, Adachi, T. | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. J. Med. Chem., 62, 2019
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6Q2W
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![BU of 6q2w by Molmil](/molmil-images/mine/6q2w) | Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2018-12-03 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
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6IAR
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![BU of 6iar by Molmil](/molmil-images/mine/6iar) | Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists | Descriptor: | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid, Estrogen receptor | Authors: | Scott, J.S, Bailey, A, Buttar, D, Carbajo, R.J, Curwen, J, Davies, R.D.M, Degorce, S.L, Donald, C, Gangl, E, Greenwood, R, Groombridge, S.D, Johnson, T, Lamont, S, Lawson, M, Lister, A, Morrow, C, Moss, T, Pink, J.H, Polanski, R. | Deposit date: | 2018-11-27 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists. J.Med.Chem., 62, 2019
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6ITM
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![BU of 6itm by Molmil](/molmil-images/mine/6itm) | Crystal structure of FXR in complex with agonist XJ034 | Descriptor: | 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1 | Authors: | Zhang, H, Wang, Z. | Deposit date: | 2018-11-23 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists. J.Chem.Inf.Model., 60, 2020
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6I64
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6I66
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6I62
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![BU of 6i62 by Molmil](/molmil-images/mine/6i62) | Crystal structure of human ERRg LBD in complex with HPTE | Descriptor: | 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol, Estrogen-related receptor gamma | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | Deposit date: | 2018-11-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci., 76, 2019
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6I67
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![BU of 6i67 by Molmil](/molmil-images/mine/6i67) | Crystal structure of human ERRg LBD in complex with tetrahydro-2-naphtol | Descriptor: | 5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen-related receptor gamma, GLYCEROL | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | Deposit date: | 2018-11-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci., 76, 2019
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6I65
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6I63
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![BU of 6i63 by Molmil](/molmil-images/mine/6i63) | Crystal structure of human ERRg LBD in complex with bisphenol-A | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | Deposit date: | 2018-11-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.229 Å) | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci., 76, 2019
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6I61
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![BU of 6i61 by Molmil](/molmil-images/mine/6i61) | Crystal structure of human ERRg LBD in complex with bisphenol-B | Descriptor: | 1,2-ETHANEDIOL, Estrogen-related receptor gamma, GLYCEROL, ... | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | Deposit date: | 2018-11-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci., 76, 2019
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6ILQ
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![BU of 6ilq by Molmil](/molmil-images/mine/6ilq) | Crystal structure of PPARgamma with compound BR101549 | Descriptor: | Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | Authors: | Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H. | Deposit date: | 2018-10-19 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.408 Å) | Cite: | Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR. Bioorg.Med.Chem.Lett., 29, 2019
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6MS7
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![BU of 6ms7 by Molmil](/molmil-images/mine/6ms7) | Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77 | Descriptor: | PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid | Authors: | Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E. | Deposit date: | 2018-10-16 | Release date: | 2019-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery. Chem Sci, 11, 2020
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6IJR
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![BU of 6ijr by Molmil](/molmil-images/mine/6ijr) | Human PPARgamma ligand binding domain complexed with SB1495 | Descriptor: | 16 mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma | Authors: | Jang, J.Y, Han, B.W. | Deposit date: | 2018-10-11 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation. Sci Rep, 9, 2019
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6IJS
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![BU of 6ijs by Molmil](/molmil-images/mine/6ijs) | Human PPARgamma ligand binding domain complexed with SB1494 | Descriptor: | 16-mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma | Authors: | Jang, J.Y, Han, B.W. | Deposit date: | 2018-10-11 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation. Sci Rep, 9, 2019
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6HTY
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![BU of 6hty by Molmil](/molmil-images/mine/6hty) | PXR in complex with P2X4 inhibitor compound 25 | Descriptor: | (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Hillig, R.C, Puetter, V, Werner, S, Mesch, S, Laux-Biehlmann, A, Braeuer, N, Dahloef, H, Klint, J, ter Laak, A, Pook, E, Neagoe, I, Nubbemeyer, R, Schulz, S. | Deposit date: | 2018-10-05 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile. J.Med.Chem., 62, 2019
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6HN6
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![BU of 6hn6 by Molmil](/molmil-images/mine/6hn6) | A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor RXR-ALPHA | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Retinoic acid receptor RXR-alpha | Authors: | Eberhardt, J, McEwen, A.G, Bourguet, W, Moras, D, Dejaegere, A. | Deposit date: | 2018-09-14 | Release date: | 2019-02-20 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor retinoic X receptor alpha. Acta Crystallogr F Struct Biol Commun, 75, 2019
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6HL1
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![BU of 6hl1 by Molmil](/molmil-images/mine/6hl1) | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA | Descriptor: | Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ... | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | Deposit date: | 2018-09-10 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
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6HL0
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![BU of 6hl0 by Molmil](/molmil-images/mine/6hl0) | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide | Descriptor: | Bile acid receptor, NCoA-2 peptide (Nuclear receptor coactivator 2), LYS-GLU-ASN-ALA-LEU-LEU-ARG-TYR-LEU-LEU-ASP-LYS-ASP | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | Deposit date: | 2018-09-10 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
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6ICJ
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![BU of 6icj by Molmil](/molmil-images/mine/6icj) | Crystal structure of PPARgamma with compound BR102375K | Descriptor: | 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one, GLYCEROL, Nuclear receptor coactivator 1, ... | Authors: | Hong, E, Chin, J, Jang, T.H, Kim, K.H, Jung, W, Kim, S.H. | Deposit date: | 2018-09-06 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.483 Å) | Cite: | Crystal structure of PPARgamma with compound BR102375K To Be Published
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6MD2
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6MD0
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