6OOY
| Asymmetric hTNF-alpha | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Tumor necrosis factor, {1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol | 著者 | Arakaki, T.L, Edwards, T.E, Ceska, T. | 登録日 | 2019-04-23 | 公開日 | 2019-12-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun, 10, 2019
|
|
6OP0
| Asymmetric hTNF-alpha | 分子名称: | (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, Tumor necrosis factor | 著者 | Arakaki, T.L, Edwards, T.E, Fairman, J.W, Davies, D.R, Foley, A, Ceska, T. | 登録日 | 2019-04-23 | 公開日 | 2019-12-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun, 10, 2019
|
|
6OOZ
| Asymmetric hTNF-alpha | 分子名称: | (S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, CHLORIDE ION, Tumor necrosis factor | 著者 | Arakaki, T.L, Edwards, T.E, Fox III, D, Lecomte, F, Ceska, T. | 登録日 | 2019-04-23 | 公開日 | 2019-12-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun, 10, 2019
|
|
7JRA
| |
6W9G
| Crystal Structure of the Fab fragment of humanized 5c8 antibody containing the fluorescent non-canonical amino acid L-(7-hydroxycoumarin-4-yl)ethylglycine in complex with CD40L at pH 6.8 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5c8* Fab (heavy chain), ... | 著者 | Henderson, J.N, Simmons, C.R, Mills, J.H. | 登録日 | 2020-03-23 | 公開日 | 2020-12-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structural Insights into How Protein Environments Tune the Spectroscopic Properties of a Noncanonical Amino Acid Fluorophore. Biochemistry, 59, 2020
|
|
7KP7
| asymmetric mTNF-alpha hTNFR1 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tumor necrosis factor, ... | 著者 | Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T. | 登録日 | 2020-11-10 | 公開日 | 2021-01-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
|
|
7KPA
| asymmetric hTNF-alpha | 分子名称: | 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 | 著者 | Fox III, D, Lukacs, C.M, Ceska, T. | 登録日 | 2020-11-10 | 公開日 | 2021-01-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF. Nat Commun, 12, 2021
|
|
7KP8
| asymmetric mTNF-alpha hTNFR1 complex | 分子名称: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor, Tumor necrosis factor receptor superfamily member 1A | 著者 | Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T. | 登録日 | 2020-11-10 | 公開日 | 2021-01-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
|
|
7KP9
| asymmetric hTNF-alpha | 分子名称: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor | 著者 | Arakaki, T.L, Abendroth, J, Fairman, J.W, Foley, A, Ceska, T. | 登録日 | 2020-11-10 | 公開日 | 2021-01-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
|
|
7KPB
| Human TNF-alpha TNFR1 complex bound to conformationally selective antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Fab1974 - Heavy Chain, ... | 著者 | Fox III, D, Conrady, D.G, Lowe, M, Ceska, T. | 登録日 | 2020-11-10 | 公開日 | 2021-01-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF Nat Commun, 12, 2021
|
|
6X83
| |
6X82
| Crystal Structure of TNFalpha with isoquinoline compound 4 | 分子名称: | 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 | 著者 | Longenecker, K.L, Stoll, V.S. | 登録日 | 2020-06-01 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
|
|
6X86
| Crystal Structure of TNFalpha with indolinone compound 11 | 分子名称: | 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, Tumor necrosis factor | 著者 | Longenecker, K.L, Stoll, V.S. | 登録日 | 2020-06-01 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
|
|
6X81
| |
6X85
| |
7KHX
| Mouse GITR-GITRL complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, ... | 著者 | Wang, F, Chau, B, West, S.M, Strop, P. | 登録日 | 2020-10-22 | 公開日 | 2021-03-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.20569849 Å) | 主引用文献 | Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions. Nat Commun, 12, 2021
|
|
6ZT0
| Crystal structure of the Eiger TNF domain/Grindelwald extracellular domain complex | 分子名称: | 1,2-ETHANEDIOL, Protein eiger, Protein grindelwald | 著者 | Palmerini, V, Cecatiello, V, Pasqualato, S, Mapelli, M. | 登録日 | 2020-07-17 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Drosophila TNFRs Grindelwald and Wengen bind Eiger with different affinities and promote distinct cellular functions. Nat Commun, 12, 2021
|
|
7KX0
| Crystal structure of the CD27:CD70 co-stimulatory complex | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, ... | 著者 | Maben, Z, Liu, W, Mosyak, L, Chaparro-Riggers, J. | 登録日 | 2020-12-02 | 公開日 | 2021-09-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Structural delineation and phase-dependent activation of the costimulatory CD27:CD70 complex. J.Biol.Chem., 297, 2021
|
|
7E57
| Crystal structure of murine GITR-GITRL complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18, ... | 著者 | Zhao, M, Tan, S, Fu, L, Chai, Y, Qi, J, Gao, G.F. | 登録日 | 2021-02-18 | 公開日 | 2021-09-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.302 Å) | 主引用文献 | Atypical TNF-TNFR superfamily binding interface in the GITR-GITRL complex for T cell activation. Cell Rep, 36, 2021
|
|
7MSG
| The crystal structure of LIGHT in complex with HVEM and CD160 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD160 antigen, soluble form,Tumor necrosis factor receptor superfamily member 14, ... | 著者 | Liu, W, Ramagopal, U, Garrett-Thompson, S.C, Fedorov, E, Bonanno, J.B, Almo, S.C. | 登録日 | 2021-05-11 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | HVEM structures and mutants reveal distinct functions of binding to LIGHT and BTLA/CD160. J.Exp.Med., 218, 2021
|
|
7DOV
| |
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 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5c8* Fab heavy chain, ... | 著者 | Henderson, J.N, Mills, J.H, Simmons, C.R. | 登録日 | 2021-10-06 | 公開日 | 2022-02-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Basis for Blocked Excited State Proton Transfer in a Fluorescent, Photoacidic Non-Canonical Amino Acid-Containing Antibody Fragment. J.Mol.Biol., 434, 2022
|
|
7TA6
| Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1 | 分子名称: | 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ... | 著者 | Niu, J, Bingman, C.A, Gellman, S.H. | 登録日 | 2021-12-20 | 公開日 | 2022-06-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling. J.Am.Chem.Soc., 144, 2022
|
|
7TA3
| |
7X9G
| Crystal structure of human EDA and EDAR | 分子名称: | Ectodysplasin-A, secreted form, Tumor necrosis factor receptor superfamily member EDAR | 著者 | Yu, K, Wan, F, Huang, C, Wu, J, Lei, M. | 登録日 | 2022-03-15 | 公開日 | 2023-02-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural insights into pathogenic mechanism of hypohidrotic ectodermal dysplasia caused by ectodysplasin A variants. Nat Commun, 14, 2023
|
|