8EFU
 
 | | a22L prion fibril | | Descriptor: | Major prion protein | | Authors: | Hoyt, F, Caughey, B. | | Deposit date: | 2022-09-09 | | Release date: | 2022-11-02 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM of prion strains from the same genotype of host identifies conformational determinants.
Plos Pathog., 18, 2022
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3KMR
 | | Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment | | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | | Authors: | Bourguet, W, Teyssier, C. | | Deposit date: | 2009-11-11 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
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6ZIE
 | | Crystal structure of MCL-1 in complex with a neutralizing Alphabody CMPX-383B | | Descriptor: | CMPX-383B, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Pannecoucke, E, Savvides, S.N, Desmet, J, Lasters, I. | | Deposit date: | 2020-06-25 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cell-penetrating Alphabody protein scaffolds for intracellular drug targeting.
Sci Adv, 7, 2021
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6ZL1
 | | Crystal structure of human serum albumin in complex with the MCL-1 neutralizing Alphabody CMPX-383B | | Descriptor: | Albumin, CMPX-383B | | Authors: | Pannecoucke, E, Savvides, S.N, Desmet, J, Lasters, I. | | Deposit date: | 2020-06-30 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.272 Å) | | Cite: | Cell-penetrating Alphabody protein scaffolds for intracellular drug targeting.
Sci Adv, 7, 2021
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2ICA
 | | CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S, 9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid | | Descriptor: | 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID, Integrin alpha-L | | Authors: | Sheriff, S, Einspahr, H. | | Deposit date: | 2006-09-12 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1.
J.Med.Chem., 49, 2006
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3KMZ
 | | Crystal structure of RARalpha ligand binding domain in complex with the inverse agonist BMS493 and a corepressor fragment | | Descriptor: | 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid, GLYCEROL, Nuclear receptor corepressor 1, ... | | Authors: | Bourguet, W, le Maire, A. | | Deposit date: | 2009-11-11 | | Release date: | 2010-06-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
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7AXJ
 | | Crystal structure of the hPXR-LBD in complex with estradiol and clotrimazole | | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, ESTRADIOL, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8BKE
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7AXG
 | | Crystal structure of the hPXR-LBD in complex with tributyltin | | Descriptor: | Nuclear receptor subfamily 1 group I member 2, tributylstannanyl | | Authors: | Delfosse, V, Huet, T, Blanc, P, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXL
 | | Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, Nuclear receptor subfamily 1 group I member 2, ... | | Authors: | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXA
 | | Crystal structure of the hPXR-LBD in complex with clotrimazole | | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7NKE
 | | Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment | | Descriptor: | 2,4-di~{tert}-butylphenol, FORMIC ACID, Nuclear receptor coactivator 2, ... | | Authors: | Carivenc, C, Bourguet, W. | | Deposit date: | 2021-02-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 2,4-Di-tert-butylphenol Induces Adipogenesis in Human Mesenchymal Stem Cells by Activating Retinoid X Receptors.
Endocrinology, 164, 2023
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8QMO
 | | Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | | Authors: | Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J. | | Deposit date: | 2023-09-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds.
J.Mol.Biol., 436, 2024
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2O7N
 | | CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | | Descriptor: | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L | | Authors: | Sheriff, S. | | Deposit date: | 2006-12-11 | | Release date: | 2007-03-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
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6YXU
 | | Structure of Mycobacterium smegmatis HelD protein in complex with RNA polymerase core - State I, primary channel engaged | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Kouba, T, Koval, T, Krasny, L, Dohnalek, J. | | Deposit date: | 2020-05-03 | | Release date: | 2020-11-04 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Mycobacterial HelD is a nucleic acids-clearing factor for RNA polymerase.
Nat Commun, 11, 2020
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6YYS
 | | Structure of Mycobacterium smegmatis HelD protein in complex with RNA polymerase core - State II, primary channel engaged and active site interfering | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Kouba, T, Koval, T, Krasny, L, Dohnalek, J. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Mycobacterial HelD is a nucleic acids-clearing factor for RNA polymerase.
Nat Commun, 11, 2020
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2P5J
 | | sPLA2 inhibitor pip 17 | | Descriptor: | pip17 | | Authors: | Thwin, M.M, Satyanarayanajois, D.S, Nagarajarao, L.M, Sato, K, Gopalakrishnakone, P.P, Arjunan, P. | | Deposit date: | 2007-03-15 | | Release date: | 2007-11-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Novel Peptide Inhibitors of Human Secretory Phospholipase A2 with Antiinflammatory Activity: Solution Structure and Molecular Modeling.
J.Med.Chem., 50, 2007
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7AXC
 | | Crystal structure of the hPXR-LBD in complex with ferutinine | | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | | Authors: | Granell, M, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXB
 | | Crystal structure of the hPXR-LBD in complex with endosulfan | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Nuclear receptor subfamily 1 group I member 2, ... | | Authors: | Huet, T, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AX9
 | | Crystal structure of the hPXR-LBD in complex with cis-chlordane | | Descriptor: | (+)cis-chlordane, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Granell, M, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXH
 | | Crystal structure of the hPXR-LBD in complex with alpha-zearalanol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | | Authors: | Huet, T, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AX8
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7AXE
 | | Crystal structure of the hPXR-LBD in complex with oxadiazon | | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | | Authors: | Harrus, D, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXD
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7AXK
 | | Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, GLYCEROL, ... | | Authors: | Huet, T, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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