8AQM
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![BU of 8aqm by Molmil](/molmil-images/mine/8aqm) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) | Descriptor: | 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-08-12 | Release date: | 2022-11-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65, 2022
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8AQN
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![BU of 8aqn by Molmil](/molmil-images/mine/8aqn) | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | Descriptor: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ... | Authors: | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-08-12 | Release date: | 2022-11-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65, 2022
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8GF9
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![BU of 8gf9 by Molmil](/molmil-images/mine/8gf9) | Cryo-EM structure of human TRPV1 in cNW11 nanodisc and POPC:POPE:POPG lipids | Descriptor: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2023-03-07 | Release date: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Human TRPV1 structure and inhibition by the analgesic SB-366791. Nat Commun, 14, 2023
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8BCW
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![BU of 8bcw by Molmil](/molmil-images/mine/8bcw) | Photosystem I assembly intermediate of Avena sativa | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Naschberger, A, Amunts, A, Nelson, N. | Deposit date: | 2022-10-17 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.11 Å) | Cite: | Photosystem I assembly intermediate of Avena sativa To Be Published
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6PF1
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8GF8
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![BU of 8gf8 by Molmil](/molmil-images/mine/8gf8) | Cryo-EM structure of human TRPV1 in cNW11 nanodisc and soybean lipids | Descriptor: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2023-03-07 | Release date: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Human TRPV1 structure and inhibition by the analgesic SB-366791. Nat Commun, 14, 2023
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8GFA
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![BU of 8gfa by Molmil](/molmil-images/mine/8gfa) | Cryo-EM structure of human TRPV1 in complex with the analgesic drug SB-366791 | Descriptor: | (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2023-03-07 | Release date: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.29 Å) | Cite: | Human TRPV1 structure and inhibition by the analgesic SB-366791. Nat Commun, 14, 2023
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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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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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8B90
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![BU of 8b90 by Molmil](/molmil-images/mine/8b90) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7d) | Descriptor: | 5-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 (2.1 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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8B91
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![BU of 8b91 by Molmil](/molmil-images/mine/8b91) | Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1) | Descriptor: | Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)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 (2.23 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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6D3P
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![BU of 6d3p by Molmil](/molmil-images/mine/6d3p) | Crystal structure of an exoribonuclease-resistant RNA from Sweet clover necrotic mosaic virus (SCNMV) | Descriptor: | IRIDIUM HEXAMMINE ION, RNA (45-MER) | Authors: | Steckelberg, A.-L, Akiyama, B.M, Costantino, D.A, Sit, T.L, Nix, J.C, Kieft, J.S. | Deposit date: | 2018-04-16 | Release date: | 2018-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A folded viral noncoding RNA blocks host cell exoribonucleases through a conformationally dynamic RNA structure. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CK5
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![BU of 6ck5 by Molmil](/molmil-images/mine/6ck5) | PRPP riboswitch from T. mathranii bound to PRPP | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BARIUM ION, MAGNESIUM ION, ... | Authors: | Knappenberger, A.J, Reiss, C.W, Strobel, S.A. | Deposit date: | 2018-02-27 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structures of two aptamers with differing ligand specificity reveal ruggedness in the functional landscape of RNA. Elife, 7, 2018
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7UGG
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![BU of 7ugg by Molmil](/molmil-images/mine/7ugg) | Cryo-EM structure of TRPV3 in complex with the anesthetic dyclonine | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Dyclonine, SODIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2022-03-24 | Release date: | 2022-06-08 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural mechanism of TRPV3 channel inhibition by the anesthetic dyclonine. Nat Commun, 13, 2022
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7LR0
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![BU of 7lr0 by Molmil](/molmil-images/mine/7lr0) | Structure of squirrel TRPV1 in complex with capsaicin | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, Osm-9-like TRP channel 1, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-02-15 | Release date: | 2021-04-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Extracellular cap domain is an essential component of the TRPV1 gating mechanism. Nat Commun, 12, 2021
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5IGH
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![BU of 5igh by Molmil](/molmil-images/mine/5igh) | Macrolide 2'-phosphotransferase type I | Descriptor: | Macrolide 2'-phosphotransferase, SULFATE ION | Authors: | Berghuis, A.M, Fong, D.H. | Deposit date: | 2016-02-28 | Release date: | 2017-04-26 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance. Structure, 25, 2017
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5IGV
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![BU of 5igv by Molmil](/molmil-images/mine/5igv) | |
5IGR
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![BU of 5igr by Molmil](/molmil-images/mine/5igr) | Macrolide 2'-phosphotransferase type I - complex with GDP and oleandomycin | Descriptor: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE, AMMONIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Berghuis, A.M, Fong, D.H. | Deposit date: | 2016-02-28 | Release date: | 2017-04-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance. Structure, 25, 2017
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5IH1
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7RAS
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![BU of 7ras by Molmil](/molmil-images/mine/7ras) | Structure of TRPV3 in complex with osthole | Descriptor: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, Transient receptor potential cation channel subfamily V member 3 | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-07-02 | Release date: | 2021-09-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural mechanism of TRPV3 channel inhibition by the plant-derived coumarin osthole. Embo Rep., 22, 2021
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