6OP0
| Asymmetric hTNF-alpha | Descriptor: | (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, Tumor necrosis factor | Authors: | Arakaki, T.L, Edwards, T.E, Fairman, J.W, Davies, D.R, Foley, A, Ceska, T. | Deposit date: | 2019-04-23 | Release date: | 2019-12-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun, 10, 2019
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6OOZ
| Asymmetric hTNF-alpha | Descriptor: | (S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, CHLORIDE ION, Tumor necrosis factor | Authors: | Arakaki, T.L, Edwards, T.E, Fox III, D, Lecomte, F, Ceska, T. | Deposit date: | 2019-04-23 | Release date: | 2019-12-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun, 10, 2019
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2E7A
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5UUI
| Crystal Structure of Spin-Labeled T77C TNFa | Descriptor: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Tumor necrosis factor | Authors: | Horanyi, P.S, Dranow, D.M, Ceska, T. | Deposit date: | 2017-02-16 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Natural Conformational Sampling of Human TNF alpha Visualized by Double Electron-Electron Resonance. Biophys. J., 113, 2017
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2AZ5
| Crystal Structure of TNF-alpha with a small molecule inhibitor | Descriptor: | 6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]-4H-CHROMEN-4-ONE, Tumor necrosis factor (TNF-alpha) (Tumor necrosis factor ligand superfamily member 2) (TNF-a) (Cachectin) [Contains: Tumor necrosis factor, membrane form; Tumor necrosis factor, ... | Authors: | He, M.M. | Deposit date: | 2005-09-09 | Release date: | 2005-11-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small-molecule inhibition of TNF-alpha. Science, 310, 2005
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2Q8O
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1ALY
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1A8M
| TUMOR NECROSIS FACTOR ALPHA, R31D MUTANT | Descriptor: | TUMOR NECROSIS FACTOR ALPHA | Authors: | Reed, C, Fu, Z.-Q, Wu, J, Xue, Y.-N, Harrison, R.W, Chen, M.-J, Weber, I.T. | Deposit date: | 1998-03-27 | Release date: | 1998-06-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of TNF-alpha mutant R31D with greater affinity for receptor R1 compared with R2. Protein Eng., 10, 1997
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5Y9J
| BAFF in complex with belimumab | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, belibumab light chain, belimumab heavy chain | Authors: | Heo, Y.-S, Shin, W. | Deposit date: | 2017-08-25 | Release date: | 2018-02-21 | Last modified: | 2019-09-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | BAFF-neutralizing interaction of belimumab related to its therapeutic efficacy for treating systemic lupus erythematosus. Nat Commun, 9, 2018
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5YOY
| Crystal structure of the human tumor necrosis factor in complex with golimumab Fv | Descriptor: | Golimumab heavy chain variable region, Golimumab light chain variable region, Tumor necrosis factor | Authors: | Ono, M, Horita, S, Sato, Y, Nomura, Y, Iwata, S, Nomura, N. | Deposit date: | 2017-10-31 | Release date: | 2018-05-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.727 Å) | Cite: | Structural basis for tumor necrosis factor blockade with the therapeutic antibody golimumab Protein Sci., 27, 2018
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7TA6
| Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1 | Descriptor: | 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ... | Authors: | Niu, J, Bingman, C.A, Gellman, S.H. | Deposit date: | 2021-12-20 | Release date: | 2022-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling. J.Am.Chem.Soc., 144, 2022
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7TA3
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4TSV
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7SGM
| Crystal structure of a Fab variant containing a fluorescent noncanonical amino acid with blocked excited state proton transfer and in complex with its antigen, CD40L | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5c8* Fab heavy chain, ... | Authors: | Henderson, J.N, Mills, J.H, Simmons, C.R. | Deposit date: | 2021-10-06 | Release date: | 2022-02-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Blocked Excited State Proton Transfer in a Fluorescent, Photoacidic Non-Canonical Amino Acid-Containing Antibody Fragment. J.Mol.Biol., 434, 2022
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4TWT
| Human TNFa dimer in complex with the semi-synthetic bicyclic peptide M21 | Descriptor: | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol, ALA-CYS-PRO-PRO-CYS-LEU-TRP-GLN-VAL-LEU-CYS-GLY, GLYCEROL, ... | Authors: | Luzi, S, Kondo, Y, Bernard, E, Stadler, L, Winter, G, Holliger, P. | Deposit date: | 2014-07-01 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Subunit disassembly and inhibition of TNF alpha by a semi-synthetic bicyclic peptide. Protein Eng.Des.Sel., 28, 2015
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1OSG
| Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold | Descriptor: | BR3 derived PEPTIDE, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 13B | Authors: | Gordon, N.C, Pan, B, Hymowitz, S.G, Yin, J.P, Kelley, R.F, Cochran, A.G, Yan, M, Dixit, V.M, Fairbrother, W.J, Starovasnik, M.A. | Deposit date: | 2003-03-19 | Release date: | 2003-05-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | BAFF/BLyS receptor 3 comprises a minimal TNF receptor-like module that encodes a highly focused ligand-binding site Biochemistry, 42, 2003
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3WD5
| Crystal structure of TNFalpha in complex with Adalimumab Fab fragment | Descriptor: | Adalimumab Heavy Chain, Adalimumab Light Chain, Tumor necrosis factor | Authors: | Hu, S, Liang, S.Y, Guo, Y.J, Lou, Z.Y. | Deposit date: | 2013-06-06 | Release date: | 2013-08-14 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Comparison of the inhibition mechanisms of adalimumab and infliximab in treating tumor necrosis factor alpha-associated diseases from a molecular view J.Biol.Chem., 288, 2013
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3K48
| Crystal structure of APRIL bound to a peptide | Descriptor: | Tumor necrosis factor ligand superfamily member 13, peptide | Authors: | Hymowitz, S.G. | Deposit date: | 2009-10-05 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Multiple novel classes of APRIL-specific receptor-blocking peptides isolated by phage display. J.Mol.Biol., 396, 2010
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1DG6
| CRYSTAL STRUCTURE OF APO2L/TRAIL | Descriptor: | APO2L/TNF-RELATED APOPOTIS INDUCING LIGAND (TRAIL), CHLORIDE ION, ZINC ION | Authors: | Hymowitz, S.G, O'ConnelL, M.P, Ultsch, M.H, de Vos, A.M, Kelley, R.F. | Deposit date: | 1999-11-23 | Release date: | 2000-01-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A unique zinc-binding site revealed by a high-resolution X-ray structure of homotrimeric Apo2L/TRAIL. Biochemistry, 39, 2000
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3LKJ
| Small Molecule Inhibition of the TNF Family Cyokine CD40 Ligand Through a Subunit Fracture Mechanism | Descriptor: | (2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD40 ligand | Authors: | Silvian, L.F, Whitty, A. | Deposit date: | 2010-01-27 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Small Molecule Inhibition of the TNF Family Cytokine CD40 Ligand through a Subunit Fracture Mechanism. Acs Chem.Biol., 6, 2011
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4EN0
| Crystal structure of light | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PHOSPHATE ION, ... | Authors: | Zhan, C, Liu, W, Patskovsky, Y, Ramagopal, U.A, Bonanno, J.B, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2012-04-12 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
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6MKB
| Crystal structure of murine 4-1BB ligand | Descriptor: | SODIUM ION, SULFATE ION, Tumor necrosis factor ligand superfamily member 9, ... | Authors: | Bitra, A, Zajonc, D.M, Doukov, T. | Deposit date: | 2018-09-25 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the m4-1BB/4-1BBL complex reveals an unusual dimeric ligand that undergoes structural changes upon 4-1BB receptor binding. J. Biol. Chem., 294, 2019
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6MGE
| Structure of human 4-1BBL | Descriptor: | GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9 | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | Deposit date: | 2018-09-13 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab. Nat Commun, 9, 2018
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4MXV
| Structure of Lymphotoxin alpha bound to anti-LTa Fab | Descriptor: | Lymphotoxin-alpha, anti-Lymphotoxin alpha antibody heavy chain, anti-Lymphotoxin alpha antibody light chain | Authors: | Yin, J.P, Hymowitz, S.G. | Deposit date: | 2013-09-26 | Release date: | 2013-11-13 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction. Proc.Natl.Acad.Sci.USA, 110, 2013
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4G3Y
| Crystal structure of TNF-alpha in complex with Infliximab Fab fragment | Descriptor: | Tumor necrosis factor, infliximab Fab H, infliximab Fab L | Authors: | Liang, S.Y, Dai, J.X, Guo, Y.J, Lou, Z.Y. | Deposit date: | 2012-07-15 | Release date: | 2013-03-27 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for treating tumor necrosis factor alpha (TNFalpha)-associated diseases with the therapeutic antibody infliximab J.Biol.Chem., 288, 2013
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