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5Y9J
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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
5UUI
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BU of 5uui by Molmil
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
4TSV
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BU of 4tsv by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURE OF A HUMAN TNF-ALPHA MUTANT
Descriptor: TUMOR NECROSIS FACTOR-ALPHA
Authors:Cha, S.-S, Kim, J.-S, Cho, H.-S, Oh, B.-H.
Deposit date:1997-10-29
Release date:1998-12-30
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution crystal structure of a human tumor necrosis factor-alpha mutant with low systemic toxicity.
J.Biol.Chem., 273, 1998
1OSG
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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
5WUX
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BU of 5wux by Molmil
TNFalpha-certolizumab Fab
Descriptor: Tumor necrosis factor alpha, heavy, light
Authors:Heo, Y.S, Lee, J.U.
Deposit date:2016-12-21
Release date:2017-06-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Basis for the Neutralization of Tumor Necrosis Factor alpha by Certolizumab Pegol in the Treatment of Inflammatory Autoimmune Diseases
Int J Mol Sci, 18, 2017
7JRA
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BU of 7jra by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
Descriptor: 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol, GLYCEROL, Tumor necrosis factor
Authors:Sheriff, S.
Deposit date:2020-08-11
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF alpha Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches.
J.Med.Chem., 63, 2020
4TWT
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BU of 4twt by Molmil
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
5YOY
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BU of 5yoy by Molmil
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
7KPA
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BU of 7kpa by Molmil
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
6MKB
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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
3K48
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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
6MGE
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BU of 6mge by Molmil
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
4EN0
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BU of 4en0 by Molmil
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
3LKJ
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BU of 3lkj by Molmil
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
6OOY
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BU of 6ooy by Molmil
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
6OP0
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BU of 6op0 by Molmil
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
6OOZ
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BU of 6ooz by Molmil
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
2ZPX
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BU of 2zpx by Molmil
TNF Receptor Subtype One-selective TNF Mutant with Antagonistic Activity; R1antTNF-T8
Descriptor: Tumor necrosis factor
Authors:Mukai, Y, Nakamura, T, Yamagata, Y, Tsutsumi, Y.
Deposit date:2008-07-29
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Fast binding kinetics and conserved 3D structure underlie the antagonistic activity of mutant TNF: useful information for designing artificial proteo-antagonists
J.Biochem., 146, 2009
4G3Y
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BU of 4g3y by Molmil
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
4MXV
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BU of 4mxv by Molmil
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:2023-09-20
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
2ZJC
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BU of 2zjc by Molmil
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
3B9I
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BU of 3b9i by Molmil
Crystal Structure of mouse GITRL at 2.5 A.
Descriptor: GITR ligand
Authors:Chattopadhyay, K, Ramagopal, U.A, Nathenson, S.G, Almo, S.C.
Deposit date:2007-11-05
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Evolution of GITRL immune function: murine GITRL exhibits unique structural and biochemical properties within the TNF superfamily.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6D3N
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BU of 6d3n by Molmil
Crystal structure of h4-1BB ligand
Descriptor: GLYCEROL, Tumor necrosis factor ligand superfamily member 9
Authors:Aruna, B, Zajonc, D.M, Doukov, T.
Deposit date:2018-04-16
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the human 4-1BB receptor bound to its ligand 4-1BBL reveal covalent receptor dimerization as a potential signaling amplifier.
J. Biol. Chem., 293, 2018
1DG6
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BU of 1dg6 by Molmil
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
4HT1
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BU of 4ht1 by Molmil
Human TWEAK in complex with the Fab fragment of a neutralizing antibody
Descriptor: Tumor necrosis factor ligand superfamily member 12, chimeric antibody Fab
Authors:Lammens, A.
Deposit date:2012-10-31
Release date:2013-06-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Crystal Structure of Human TWEAK in Complex with the Fab Fragment of a Neutralizing Antibody Reveals Insights into Receptor Binding.
Plos One, 8, 2013

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