4CI4
 
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4D7N
 | | TetR(D) in complex with anhydrotetracycline and potassium | | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Werten, S, Dalm, D, Palm, G.J, Hinrichs, W. | | Deposit date: | 2014-11-25 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Biochemistry, 53, 2014
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6NWS
 | | RORgamma Ligand Binding Domain | | Descriptor: | 2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide, Nuclear receptor ROR-gamma | | Authors: | Strutzenberg, T.S, Park, H.J, Griffin, P.R. | | Deposit date: | 2019-02-07 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
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6NPY
 | | Cryo-EM structure of NLRP3 bound to NEK7 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 3, ... | | Authors: | Sharif, H, Wang, L, Wang, W.L, Wu, H. | | Deposit date: | 2019-01-18 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural mechanism for NEK7-licensed activation of NLRP3 inflammasome.
Nature, 570, 2019
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6NWU
 | | RORgamma Ligand Binding Domain | | Descriptor: | 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole, Nuclear receptor ROR-gamma | | Authors: | Strutzenberg, T.S, Park, H, Griffin, P.R. | | Deposit date: | 2019-02-07 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
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6NWT
 | | RORgamma Ligand Binding Domain | | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol, Nuclear receptor ROR-gamma | | Authors: | Strutzenberg, T.S, Park, H, Griffin, P.R. | | Deposit date: | 2019-02-07 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
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6NX1
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL | | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion | | Authors: | Khan, J.A. | | Deposit date: | 2019-02-07 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
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6ON4
 | | Crystal structure of the GntR-type sialoregulator NanR from Escherichia coli, in complex with sialic acid | | Descriptor: | HTH-type transcriptional repressor NanR, N-acetyl-beta-neuraminic acid, ZINC ION, ... | | Authors: | Horne, C.R, Panjikar, S, North, R.A, Dobson, R.C.J. | | Deposit date: | 2019-04-19 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Control of the Escherichia coli sialoregulon by transcriptional repressor NanR.
J. Bacteriol., 195, 2013
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5NZ0
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with linezolid | | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide | | Authors: | Blaszczyk, M, Mendes, V, Nikiforov, P.O, Blundell, T.L. | | Deposit date: | 2017-05-12 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.825 Å) | | Cite: | The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
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6CN6
 | | RORC2 LBD complexed with compound 34 | | Descriptor: | 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma | | Authors: | Kauppi, B, Vajdos, F. | | Deposit date: | 2018-03-07 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
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6CYY
 | | Mycobacterium tuberculosis transcriptional regulator | | Descriptor: | COENZYME A, HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER | | Authors: | Tang, S, Sacchettini, J. | | Deposit date: | 2018-04-07 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Nucleic Acids Res., 47, 2019
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7T9H
 | | HIV Integrase in complex with Compound-15 | | Descriptor: | (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid, Integrase, MAGNESIUM ION | | Authors: | Khan, J.A, Lewis, H, Kish, K. | | Deposit date: | 2021-12-19 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs.
J.Med.Chem., 65, 2022
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7T9O
 | | HIV Integrase in complex with Compound-25 | | Descriptor: | (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid, GLYCEROL, Integrase, ... | | Authors: | Khan, J.A, Lewis, H, Kish, K. | | Deposit date: | 2021-12-19 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs.
J.Med.Chem., 65, 2022
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6DH9
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6DUP
 | | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7 | | Descriptor: | (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Chen, X, Zhang, Y, Mclean, L.R. | | Deposit date: | 2018-06-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators.
Bioorg. Med. Chem. Lett., 28, 2018
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7R3J
 | | Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL | | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION, ... | | Authors: | Borgert, S.R, Schmelz, S, Blankenfeldt, W. | | Deposit date: | 2022-02-07 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
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7R3H
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7R3E
 | | Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL | | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase,Regulatory protein RhlR, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION | | Authors: | Borgert, S.R, Schmelz, S, Blankenfeldt, W. | | Deposit date: | 2022-02-07 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
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7R3G
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7R3I
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5NHK
 | | Structure of Ferric uptake regulator from francisella tularensis with Iron | | Descriptor: | FE (III) ION, Ferric uptake regulation protein, ZINC ION | | Authors: | Perard, J, Arnaud, L, Carpentier, P, Michaud-Soret, I, Cavazza, C. | | Deposit date: | 2017-03-21 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional studies of the metalloregulator Fur identify a promoter-binding mechanism and its role inFrancisella tularensisvirulence.
Commun Biol, 1, 2018
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1JHF
 | | LEXA G85D MUTANT | | Descriptor: | LEXA REPRESSOR, SULFATE ION | | Authors: | Luo, Y, Pfuetzner, R.A, Mosimann, S, Little, J.W, Strynadka, N.C.J. | | Deposit date: | 2001-06-27 | | Release date: | 2001-09-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of LexA: a conformational switch for regulation of self-cleavage.
Cell(Cambridge,Mass.), 106, 2001
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1JHH
 | | LEXA S119A MUTANT | | Descriptor: | LEXA REPRESSOR, SULFATE ION | | Authors: | Luo, Y, Pfuetzner, R.A, Mosimann, S, Little, J.W, Strynadka, N.C.J. | | Deposit date: | 2001-06-27 | | Release date: | 2001-09-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of LexA: a conformational switch for regulation of self-cleavage.
Cell(Cambridge,Mass.), 106, 2001
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3N00
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4V4F
 | | The structure of the trp RNA-binding attenuation protein (TRAP) bound to a RNA molecule containing UAGAU repeats | | Descriptor: | 5'-R(*UP*AP*GP*AP*UP)-3', TRANSCRIPTION ATTENUATION PROTEIN MTRB, TRYPTOPHAN | | Authors: | Hopcroft, N.H, Manfredo, A, Wendt, A.L, Brzozowski, A.M, Gollnick, P, Antson, A.A. | | Deposit date: | 2003-12-08 | | Release date: | 2014-07-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Interaction of RNA with Trap: The Role of Triplet Repeats and Separating Spacer Nucleotides
J.Mol.Biol., 338, 2004
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