7OEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oem by Molmil](/molmil-images/mine/7oem) | Crystal structure of the human METTL3-METTL14 complex with compound UOZ120 | Descriptor: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
|
|
1LEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lei by Molmil](/molmil-images/mine/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
|
|
9BDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bdw by Molmil](/molmil-images/mine/9bdw) | NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA | Descriptor: | DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G. | Deposit date: | 2024-04-12 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6TTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ttt by Molmil](/molmil-images/mine/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
|
|
6TTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ttx by Molmil](/molmil-images/mine/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
|
|
6TTP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ttp by Molmil](/molmil-images/mine/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
|
|
6TU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tu1 by Molmil](/molmil-images/mine/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
|
|
1O0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o0l by Molmil](/molmil-images/mine/1o0l) | THE STRUCTURE OF BCL-W REVEALS A ROLE FOR THE C-TERMINAL RESIDUES IN MODULATING BIOLOGICAL ACTIVITY | Descriptor: | Apoptosis regulator Bcl-W | Authors: | Hinds, M.G, Lackmann, M, Skea, G.L, Harrison, P.J, Huang, D.C.S, Day, C.L. | Deposit date: | 2003-02-22 | Release date: | 2003-04-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of Bcl-w reveals a role for the C-terminal residues in modulating biological activity Embo J., 22, 2003
|
|
1LE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1le5 by Molmil](/molmil-images/mine/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
|
|
6TTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ttw by Molmil](/molmil-images/mine/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
|
|
9BDU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bdu by Molmil](/molmil-images/mine/9bdu) | NF-kappaB RelA homo-dimer bound to AT-centric kappaB DNA | Descriptor: | DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... | Authors: | Biswas, T, Huang, D, Ghosh, G. | Deposit date: | 2024-04-12 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5KBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kbd by Molmil](/molmil-images/mine/5kbd) | |
1LE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1le9 by Molmil](/molmil-images/mine/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
|
|
4OT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ot9 by Molmil](/molmil-images/mine/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
|
|
1RE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1re6 by Molmil](/molmil-images/mine/1re6) | Localisation of Dynein Light Chains 1 and 2 and their Pro-apoptotic Ligands | Descriptor: | dynein light chain 2 | Authors: | Day, C.L, Puthalakath, H, Skea, G, Strasser, A, Barsukov, I, Lian, L.Y, Huang, D.C, Hinds, M.G. | Deposit date: | 2003-11-06 | Release date: | 2004-03-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Localization of dynein light chains 1 and 2 and their pro-apoptotic ligands. Biochem.J., 377, 2004
|
|
1Z5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z5n by Molmil](/molmil-images/mine/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
|
|
1EK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ek3 by Molmil](/molmil-images/mine/1ek3) | KAPPA-4 IMMUNOGLOBULIN VL, REC | Descriptor: | CALCIUM ION, CHLORIDE ION, KAPPA-4 IMMUNOGLOBULIN LIGHT CHAIN VL | Authors: | Pokkuluri, P.R, Huang, D.-B, Raffen, R, Stevens, F.J, Schiffer, M. | Deposit date: | 2000-03-06 | Release date: | 2001-03-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of Amyloidogenic Kappa-4 Immunoglobulin VL, REC To be Published
|
|
1VKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vkx by Molmil](/molmil-images/mine/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
|
|
1LIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lil by Molmil](/molmil-images/mine/1lil) | |
1Z5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z5p by Molmil](/molmil-images/mine/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
|
|
4AUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4auq by Molmil](/molmil-images/mine/4auq) | Structure of BIRC7-UbcH5b-Ub complex. | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 7, POLYUBIQUITIN-C, UBIQUITIN-CONJUGATING ENZYME E2 D2, ... | Authors: | Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T. | Deposit date: | 2012-05-21 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.176 Å) | Cite: | Birc7-E2 Ubiquitin Conjugate Structure Reveals the Mechanism of Ubiquitin Transfer by a Ring Dimer. Nat.Struct.Mol.Biol., 19, 2012
|
|
1K3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k3z by Molmil](/molmil-images/mine/1k3z) | X-ray crystal structure of the IkBb/NF-kB p65 homodimer complex | Descriptor: | Transcription factor p65, transcription factor inhibitor I-kappa-B-beta | Authors: | Shiva, M, Huang, D.B, Chen, Y, Huxford, T, Ghosh, S, Ghosh, G. | Deposit date: | 2001-10-04 | Release date: | 2002-10-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray crystal structure of an IkappaBbeta x NF-kappaB p65 homodimer complex. J.Biol.Chem., 278, 2003
|
|
1Z5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z5o by Molmil](/molmil-images/mine/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
|
|
4E3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e3c by Molmil](/molmil-images/mine/4e3c) | X-ray crystal structure of human IKK2 in an active conformation | Descriptor: | Inhibitor of nuclear factor kappa-B kinase subunit beta | Authors: | Polley, S, Huang, D.B, Hauenstein, A.V, Ghosh, G, Huxford, T. | Deposit date: | 2012-03-09 | Release date: | 2013-06-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.98 Å) | Cite: | X-ray crystal structure of human IKK2 in an active conformation Plos.Biol., 2013
|
|
3DO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3do7 by Molmil](/molmil-images/mine/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
|
|