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6XI8
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BU of 6xi8 by Molmil
Yeast TFIIK (Kin28/Ccl1/Tfb3) Complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin CCL1, ...
Authors:van Eeuwen, T, Murakami, K, Li, T, Tsai, K.L.
Deposit date:2020-06-19
Release date:2021-04-28
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structure of TFIIK for phosphorylation of CTD of RNA polymerase II.
Sci Adv, 7, 2021
3LHE
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BU of 3lhe by Molmil
The crystal structure of the C-terminal domain of a GntR family transcriptional regulator from Bacillus anthracis str. Sterne
Descriptor: CHLORIDE ION, GLYCEROL, GntR family Transcriptional regulator
Authors:Tan, K, Chhor, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-01-22
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The crystal structure of the C-terminal domain of a GntR family transcriptional regulator from Bacillus anthracis str. Sterne
To be Published
3LMP
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BU of 3lmp by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2010-01-31
Release date:2010-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
8G3C
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BU of 8g3c by Molmil
Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor)
Descriptor: N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide, WD repeat-containing protein 5
Authors:Zhao, M.
Deposit date:2023-02-07
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
8G3E
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BU of 8g3e by Molmil
Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)
Descriptor: (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5
Authors:Zhao, M.
Deposit date:2023-02-07
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
3C5D
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BU of 3c5d by Molmil
Crystal structure of HIV-1 subtype F DIS extended duplex RNA bound to lividomycin
Descriptor: 'HIV-1 subtype F genomic RNA, (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL, POTASSIUM ION
Authors:Freisz, S, Lang, K, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-01-31
Release date:2008-05-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of aminoglycoside antibiotics to the duplex form of the HIV-1 genomic RNA dimerization initiation site.
Angew.Chem.Int.Ed.Engl., 47, 2008
3C7R
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BU of 3c7r by Molmil
Crystal Structure of HIV-1 subtype F DIS extended duplex RNA bound to neomycin
Descriptor: HIV-1 subtype F genomic RNA, NEOMYCIN, POTASSIUM ION
Authors:Freisz, S, Lang, K, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-02-08
Release date:2008-05-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of aminoglycoside antibiotics to the duplex form of the HIV-1 genomic RNA dimerization initiation site.
Angew.Chem.Int.Ed.Engl., 47, 2008
3OKH
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BU of 3okh by Molmil
Crystal structure of human FXR in complex with 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid
Descriptor: 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-25
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
Bioorg.Med.Chem.Lett., 21, 2010
5UDH
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BU of 5udh by Molmil
HHARI/ARIH1-UBCH7~Ubiquitin
Descriptor: E3 ubiquitin-protein ligase ARIH1, Ubiquitin C variant, Ubiquitin-conjugating enzyme E2 L3, ...
Authors:Miller, D.J, Schulman, B.A.
Deposit date:2016-12-27
Release date:2017-06-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural Studies of HHARI/UbcH7Ub Reveal Unique E2Ub Conformational Restriction by RBR RING1.
Structure, 25, 2017
3OMK
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BU of 3omk by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
Descriptor: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-27
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
1GZS
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BU of 1gzs by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE GEF DOMAIN OF THE SALMONELLA TYPHIMURIUM SOPE TOXIN AND HUMAN Cdc42
Descriptor: GTP-BINDING PROTEIN, SOPE, SULFATE ION
Authors:Buchwald, G, Friebel, A, Galan, J.E, Hardt, W.D, Wittinghofer, A, Scheffzek, K.
Deposit date:2002-06-05
Release date:2002-09-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Reversible Activation of a Rho Protein by the Bacterial Toxin Sope
Embo J., 21, 2002
8QQE
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BU of 8qqe by Molmil
Crystal structure of the complex between DMC1 and the PhePP domain of BRCA2
Descriptor: Breast cancer type 2 susceptibility protein, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Miron, S, Legrand, P, Zinn-Justin, S.
Deposit date:2023-10-04
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3.461 Å)
Cite:DMC1 and RAD51 bind FxxA and FxPP motifs of BRCA2 via two separate interfaces.
Nucleic Acids Res., 52, 2024
5UI4
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BU of 5ui4 by Molmil
Structure of NME1 covalently conjugated to imidazole fluorosulfate
Descriptor: 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A
Authors:Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W.
Deposit date:2017-01-12
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:"Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
8KHP
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BU of 8khp by Molmil
CULLIN3-KLHL22-RBX1 E3 ligase
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch-like protein 22
Authors:Su, M.-Y, Su, M.-Y.
Deposit date:2023-08-22
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
5OL8
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BU of 5ol8 by Molmil
Structure of human mitochondrial transcription elongation factor (TEFM) C-terminal domain
Descriptor: GLYCEROL, Transcription elongation factor, mitochondrial
Authors:Hillen, H.S, Parshin, A.V, Agaronyan, K, Morozov, Y, Graber, J.J, Chernev, A, Schwinghammer, K, Urlaub, H, Anikin, M, Cramer, P, Temiakov, D.
Deposit date:2017-07-27
Release date:2017-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of Transcription Anti-termination in Human Mitochondria.
Cell, 171, 2017
5SXM
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BU of 5sxm by Molmil
WDR5 in complex with MLL Win motif peptidomimetic
Descriptor: ACE-ALA-ARG-THR-GLU-VAL-TYR-NH2, WD repeat-containing protein 5
Authors:Alicea-Velazquez, N.L, Shinsky, S.A, Cosgrove, M.S.
Deposit date:2016-08-09
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeted Disruption of the Interaction between WD-40 Repeat Protein 5 (WDR5) and Mixed Lineage Leukemia (MLL)/SET1 Family Proteins Specifically Inhibits MLL1 and SETd1A Methyltransferase Complexes.
J.Biol.Chem., 291, 2016
1P2F
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BU of 1p2f by Molmil
Crystal Structure Analysis of Response Regulator DrrB, a Thermotoga maritima OmpR/PhoB Homolog
Descriptor: Response Regulator
Authors:Robinson, V.L, Wu, T, Stock, A.M.
Deposit date:2003-04-15
Release date:2003-04-29
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of the domain interface in DrrB, a response regulator of the OmpR/PhoB subfamily
J.Bacteriol., 185, 2003
8K9I
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BU of 8k9i by Molmil
Structure of CUL3-RBX1-KLHL22 complex without CUL3 NA motif
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y.
Deposit date:2023-08-01
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22.
Nat Commun, 15, 2024
6WJQ
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BU of 6wjq by Molmil
Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
Descriptor: 3-phosphoinositide-dependent protein kinase 1, WD repeat-containing protein 5
Authors:Zhao, B, Fesik, S.
Deposit date:2020-04-14
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
Cell Rep, 2021
4BJJ
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BU of 4bjj by Molmil
Sfc1-Sfc7 dimerization module
Descriptor: MERCURY (II) ION, TRANSCRIPTION FACTOR TAU SUBUNIT SFC1, TRANSCRIPTION FACTOR TAU SUBUNIT SFC7
Authors:Taylor, N.M.I, Baudin, F, von Scheven, G, Muller, C.W.
Deposit date:2013-04-18
Release date:2013-07-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:RNA Polymerase III-Specific General Transcription Factor Iiic Contains a Heterodimer Resembling Tfiif RAP30/RAP74.
Nucleic Acids Res., 41, 2013
3K09
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BU of 3k09 by Molmil
Crystal structure of the phosphorylation-site mutant S431D of the KaiC circadian clock protein
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase kaiC, MAGNESIUM ION
Authors:Pattanayek, R, Egli, M, Pattanayek, S.
Deposit date:2009-09-24
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of KaiC Circadian Clock Mutant Proteins: A New Phosphorylation Site at T426 and Mechanisms of Kinase, ATPase and Phosphatase.
Plos One, 4, 2009
3PAS
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BU of 3pas by Molmil
Crystal structure of a TetR family transcription regulator (Maqu_1417) from MARINOBACTER AQUAEOLEI VT8 at 1.90 A resolution
Descriptor: ACETATE ION, S-1,2-PROPANEDIOL, TetR family transcription regulator
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-10-19
Release date:2010-11-17
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a TetR family transcription regulator (Maqu_1417) from MARINOBACTER AQUAEOLEI VT8 at 1.90 A resolution
To be published
8QEO
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BU of 8qeo by Molmil
cryo-EM structure complex of Frizzled-7 and Clostridioides difficile toxin B
Descriptor: Frizzled-7, Toxin B, ZINC ION
Authors:Kinsolving, J, Bous, J.
Deposit date:2023-09-01
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural and functional insight into the interaction of Clostridioides difficile toxin B and FZD 7.
Cell Rep, 43, 2024
5UV5
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BU of 5uv5 by Molmil
Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase
Descriptor: 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-02-19
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
3NRG
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BU of 3nrg by Molmil
Crystal structure of a TetR family transcriptional regulator (Caur_2714) from CHLOROFLEXUS AURANTIACUS J-10-FL at 2.56 A resolution
Descriptor: CHLORIDE ION, TetR family transcriptional regulator
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-06-30
Release date:2010-09-22
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Crystal structure of a TetR family transcriptional regulator (Caur_2714) from CHLOROFLEXUS AURANTIACUS J-10-FL at 2.56 A resolution
To be published

224931

數據於2024-09-11公開中

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