5UUI
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![BU of 5uui by Molmil](/molmil-images/mine/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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4Y6O
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![BU of 4y6o by Molmil](/molmil-images/mine/4y6o) | |
4TSV
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![BU of 4tsv by Molmil](/molmil-images/mine/4tsv) | |
2E7A
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![BU of 2e7a by Molmil](/molmil-images/mine/2e7a) | |
5M2J
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![BU of 5m2j by Molmil](/molmil-images/mine/5m2j) | Complex between human TNF alpha and Llama VHH2 | Descriptor: | Anti-(ED-B) scFV, Tumor necrosis factor | Authors: | Cambillau, C, Spinelli, S, Desmyter, A, de Haard, H. | Deposit date: | 2016-10-13 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bivalent Llama Single-Domain Antibody Fragments against Tumor Necrosis Factor Have Picomolar Potencies due to Intramolecular Interactions. Front Immunol, 8, 2017
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3L9J
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![BU of 3l9j by Molmil](/molmil-images/mine/3l9j) | Selection of a novel highly specific TNFalpha antagonist: Insight from the crystal structure of the antagonist-TNFalpha complex | Descriptor: | MAGNESIUM ION, TNFalpha, Tumor necrosis factor, ... | Authors: | Byla, P, Andersen, M.H, Thogersen, H.C, Gad, H.H, Hartmann, R. | Deposit date: | 2010-01-05 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selection of a novel and highly specific TNF{alpha} antagonist: insight from the crystal structure of the antagonist-TNF{alpha} complex J.Biol.Chem., 285, 2010
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7JRA
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![BU of 7jra by Molmil](/molmil-images/mine/7jra) | |
2AZ5
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![BU of 2az5 by Molmil](/molmil-images/mine/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: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small-molecule inhibition of TNF-alpha. Science, 310, 2005
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5M2I
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![BU of 5m2i by Molmil](/molmil-images/mine/5m2i) | Structure of human Tumor Necrosis Factor (TNF) in complex with the Llama VHH1 | Descriptor: | Tumor necrosis factor, VHH1 | Authors: | Cambillau, C, Spinelli, S, Desmyter, A, de Haard, H. | Deposit date: | 2016-10-13 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Bivalent Llama Single-Domain Antibody Fragments against Tumor Necrosis Factor Have Picomolar Potencies due to Intramolecular Interactions. Front Immunol, 8, 2017
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7KP9
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![BU of 7kp9 by Molmil](/molmil-images/mine/7kp9) | asymmetric hTNF-alpha | Descriptor: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor | Authors: | Arakaki, T.L, Abendroth, J, Fairman, J.W, Foley, A, Ceska, T. | Deposit date: | 2020-11-10 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
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1A8M
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![BU of 1a8m by Molmil](/molmil-images/mine/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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5M2M
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![BU of 5m2m by Molmil](/molmil-images/mine/5m2m) | Complex between human TNF alpha and Llama VHH3 | Descriptor: | Llama nanobody VHH3, Tumor necrosis factor | Authors: | Cambillau, C, Spinelli, S, Desmyter, A, de Haard, H. | Deposit date: | 2016-10-13 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Bivalent Llama Single-Domain Antibody Fragments against Tumor Necrosis Factor Have Picomolar Potencies due to Intramolecular Interactions. Front Immunol, 8, 2017
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7KPA
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![BU of 7kpa by Molmil](/molmil-images/mine/7kpa) | asymmetric hTNF-alpha | Descriptor: | 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Tumor necrosis factor | Authors: | Fox III, D, Lukacs, C.M, Ceska, T. | Deposit date: | 2020-11-10 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF. Nat Commun, 12, 2021
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7TA3
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6OOY
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![BU of 6ooy by Molmil](/molmil-images/mine/6ooy) | Asymmetric hTNF-alpha | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Tumor necrosis factor, {1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol | Authors: | Arakaki, T.L, Edwards, T.E, Ceska, T. | Deposit date: | 2019-04-23 | Release date: | 2019-12-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun, 10, 2019
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2ZJC
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![BU of 2zjc by Molmil](/molmil-images/mine/2zjc) | TNFR1 selectve TNF mutant; R1-6 | Descriptor: | GLYCEROL, Tumor necrosis factor | Authors: | Mukai, Y, Yamagata, Y, Tsutsumi, Y. | Deposit date: | 2008-03-05 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Function Relationship of Tumor Necrosis Factor (TNF) and Its Receptor Interaction Based on 3D Structural Analysis of a Fully Active TNFR1-Selective TNF Mutant J.Mol.Biol., 385, 2009
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5TSW
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![BU of 5tsw by Molmil](/molmil-images/mine/5tsw) | |
6OP0
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![BU of 6op0 by Molmil](/molmil-images/mine/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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1TNF
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4G3Y
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![BU of 4g3y by Molmil](/molmil-images/mine/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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6RMJ
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![BU of 6rmj by Molmil](/molmil-images/mine/6rmj) | Crystal structure of human NGR-TNF | Descriptor: | Tumor necrosis factor | Authors: | Degano, M, Garau, G. | Deposit date: | 2019-05-07 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mechanism of Action of the Tumor Vessel Targeting Agent NGR-hTNF: Role of Both NGR Peptide and hTNF in Cell Binding and Signaling. Int J Mol Sci, 20, 2019
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7TA6
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![BU of 7ta6 by Molmil](/molmil-images/mine/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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5YOY
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![BU of 5yoy by Molmil](/molmil-images/mine/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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6X82
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![BU of 6x82 by Molmil](/molmil-images/mine/6x82) | Crystal Structure of TNFalpha with isoquinoline compound 4 | Descriptor: | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline, Tumor necrosis factor | Authors: | Longenecker, K.L, Stoll, V.S. | Deposit date: | 2020-06-01 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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6OOZ
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![BU of 6ooz by Molmil](/molmil-images/mine/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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