6YL8
 
 | | Crystal structure of YTHDC1 with compound DHU_DC1_011 | | Descriptor: | (2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6YNO
 | | Crystal structure of YTHDC1 with compound DHU_DC1_139 | | Descriptor: | 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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6YKI
 | | Crystal structure of YTHDC1 with compound DHU_DC1_092 | | Descriptor: | SULFATE ION, YTHDC1, ~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6Y2X
 | | RING-DTC domains of Deltex 2, Form 2 | | Descriptor: | Probable E3 ubiquitin-protein ligase DTX2, ZINC ION | | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | | Deposit date: | 2020-02-17 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
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2V6Q
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1VKX
 | | CRYSTAL STRUCTURE OF THE NFKB P50/P65 HETERODIMER COMPLEXED TO THE IMMUNOGLOBULIN KB DNA | | Descriptor: | DNA (5'-D(*AP*GP*GP*AP*AP*AP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*GP*AP*CP*TP*TP*TP*CP*C)-3'), PROTEIN (NF-KAPPA B P50 SUBUNIT), ... | | Authors: | Chen, F, Huang, D.B, Ghosh, G. | | Deposit date: | 1997-09-17 | | Release date: | 1998-12-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of p50/p65 heterodimer of transcription factor NF-kappaB bound to DNA.
Nature, 391, 1998
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6Y3J
 | | RING-DTC domains of Deltex 2, bound to ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Probable E3 ubiquitin-protein ligase DTX2, ZINC ION | | Authors: | Gabrielssen, M, Buetow, L, Huang, D.T. | | Deposit date: | 2020-02-18 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
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1Z5P
 | | Crystal structure of MTA/AdoHcy nucleosidase with a ligand-free purine binding site | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Lee, J.E, Smith, G.D, Horvatin, C, Huang, D.J.T, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2005-03-18 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural snapshots of MTA/AdoHcy nucleosidase along the reaction coordinate provide insights into enzyme and nucleoside flexibility during catalysis
J.Mol.Biol., 352, 2005
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2V2T
 | | X-ray structure of a NF-kB p50-RelB-DNA complex | | Descriptor: | 5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*CP*CP*CP)-3', NUCLEAR FACTOR NF-KAPPA-B P105 SUBUNIT, TRANSCRIPTION FACTOR RELB | | Authors: | Moorthy, A.K, Huang, D.B, Wang, V.Y, Vu, D, Ghosh, G. | | Deposit date: | 2007-06-07 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | X-Ray Structure of a NF-kappaB p50/Relb/DNA Complex Reveals Assembly of Multiple Dimers on Tandem kappaB Sites.
J.Mol.Biol., 373, 2007
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1Z5N
 | | Crystal structure of MTA/AdoHcy nucleosidase Glu12Gln mutant complexed with 5-methylthioribose and adenine | | Descriptor: | 5-S-methyl-5-thio-alpha-D-ribofuranose, ADENINE, MTA/SAH nucleosidase | | Authors: | Lee, J.E, Smith, G.D, Horvatin, C, Huang, D.J.T, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2005-03-18 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural snapshots of MTA/AdoHcy nucleosidase along the reaction coordinate provide insights into enzyme and nucleoside flexibility during catalysis
J.Mol.Biol., 352, 2005
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1Z5O
 | | Crystal structure of MTA/AdoHcy nucleosidase Asp197Asn mutant complexed with 5'-methylthioadenosine | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, MTA/SAH nucleosidase | | Authors: | Lee, J.E, Smith, G.D, Horvatin, C, Huang, D.J.T, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2005-03-18 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural snapshots of MTA/AdoHcy nucleosidase along the reaction coordinate provide insights into enzyme and nucleoside flexibility during catalysis
J.Mol.Biol., 352, 2005
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4OT9
 | | crystal structure of the C-terminal domain of p100/NF-kB2 | | Descriptor: | Nuclear factor NF-kappa-B p100 subunit, SULFATE ION | | Authors: | Tao, Z.H, Huang, D.B, Fusco, A, Gupta, K, Ware, C.F, Duynne, G.V. | | Deposit date: | 2014-02-13 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | p100/I kappa B delta sequesters and inhibits NF-kappa B through kappaBsome formation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1LEI
 | | The kB DNA sequence from the HLV-LTR functions as an allosteric regulator of HIV transcription | | Descriptor: | 5'-D(*CP*TP*CP*AP*GP*GP*GP*AP*AP*AP*GP*TP*AP*CP*AP*GP*A)-3', 5'-D(*TP*CP*TP*GP*5ITP*AP*CP*5ITP*5ITP*5ITP*CP*CP*CP*TP*GP*AP*G)-3', NUCLEAR FACTOR NF-KAPPA-B P50 SUBUNIT, ... | | Authors: | Chen-Park, F, Huang, D.B, Ghosh, G. | | Deposit date: | 2002-04-09 | | Release date: | 2003-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The kB DNA sequence from the HIV Long Terminal Repeat functions as an allosteric regulator of HIV transcription
J.Biol.Chem., 277, 2002
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5EBZ
 | | Crystal structure of human IKK1 | | Descriptor: | 2,3-di-O-sulfo-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-2,4-di-O-sulfo-alpha-D-glucopyranose, 2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide, Inhibitor of nuclear factor kappa-B kinase subunit alpha, ... | | Authors: | Polley, S, Passos, D, Huang, D, Biswas, T, Verma, I, Lyumkis, D, Ghosh, G. | | Deposit date: | 2015-10-20 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Structural Basis for the Activation of IKK1/ alpha.
Cell Rep, 17, 2016
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5KBD
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1LE9
 | | Crystal structure of a NF-kB heterodimer bound to the Ig/HIV-kB siti | | Descriptor: | 5'-D(*AP*AP*GP*GP*AP*AP*AP*GP*TP*CP*CP*C)-3', 5'-D(*TP*GP*GP*GP*AP*CP*TP*TP*TP*CP*CP*T)-3', NUCLEAR FACTOR NF-KAPPA-B P50 SUBUNIT, ... | | Authors: | Benjamin, B, Huang, D.B, Chen-Park, F.E, Sigler, P.B, Ghosh, G. | | Deposit date: | 2002-04-09 | | Release date: | 2003-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The x-ray crystal structure of the NF-kappa B p50.p65 heterodimer bound to the interferon beta -kappa B site.
J.Biol.Chem., 277, 2002
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1LE5
 | | Crystal structure of a NF-kB heterodimer bound to an IFNb-kB | | Descriptor: | 5'-D(*AP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*C)-3', 5'-D(*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*T)-3', Nuclear factor NF-kappa-B p50 subunit, ... | | Authors: | Berkowitz, B, Huang, D.B, Chen-Park, F.E, Sigler, P.B, Ghosh, G. | | Deposit date: | 2002-04-09 | | Release date: | 2003-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The X-ray crystal structure of the
NF-kB p50/p65 heterodimer bound
to the Interferon beta-kB site
J.Biol.Chem., 277, 2002
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6TTW
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 4 (ASI_M3M_047) | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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6TTT
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 2 (ASI_M3M_140) | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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6TTP
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 1/Adenosine (DHU_M3M_023) | | Descriptor: | ACETATE ION, ADENOSINE, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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6TTX
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051) | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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6TU1
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091) | | Descriptor: | (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-31 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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1LIL
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1MY7
 | | NF-kappaB p65 subunit dimerization domain homodimer N202R mutation | | Descriptor: | NF-kappaB p65 (RelA) subunit | | Authors: | Huxford, T, Mishler, D, Phelps, C.B, Huang, D.-B, Sengchanthalangsy, L.L, Reeves, R, Hughes, C.A, Komives, E.A, Ghosh, G. | | Deposit date: | 2002-10-03 | | Release date: | 2002-12-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Solvent exposed non-contacting amino acids play a critical role in NF-kappaB/IkappaB alpha complex formation
J.Mol.Biol., 324, 2002
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3DO7
 | | X-ray structure of a NF-kB p52/RelB/DNA complex | | Descriptor: | 5'-D(*DCP*DGP*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DCP*DC)-3', Avian reticuloendotheliosis viral (V-rel) oncogene related B, Nuclear factor NF-kappa-B p100 subunit | | Authors: | Fusco, A, Huang, D.B, Miller, D, Vu, D, Ghosh, G. | | Deposit date: | 2008-07-03 | | Release date: | 2009-07-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | NF-kapppaB p52:RelB heterodimer uses different binding modes to recognize different kappaB DNA
TO BE PUBLISHED
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