1FVR
 
 | | TIE2 KINASE DOMAIN | | 分子名称: | TYROSINE-PROTEIN KINASE TIE-2 | | 著者 | Shewchuk, L.M, Hassell, A.M, Ellis, B, Holmes, W.D, Davis, R, Horne, E.L, Kadwell, S.H, McKee, D.D, Moore, J.T. | | 登録日 | 2000-09-20 | | 公開日 | 2001-09-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of the Tie2 RTK domain: self-inhibition by the nucleotide binding loop, activation loop, and C-terminal tail.
Structure Fold.Des., 8, 2000
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1BKC
 | | CATALYTIC DOMAIN OF TNF-ALPHA CONVERTING ENZYME (TACE) | | 分子名称: | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TUMOR NECROSIS FACTOR-ALPHA-CONVERTING ENZYME, ZINC ION | | 著者 | Maskos, K, Fernandez-Catalan, C, Bode, W. | | 登録日 | 1998-04-23 | | 公開日 | 1999-06-22 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the catalytic domain of human tumor necrosis factor-alpha-converting enzyme.
Proc.Natl.Acad.Sci.USA, 95, 1998
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4UU9
 | | Crystal structure of the human c5a in complex with MEDI7814 a neutralising antibody | | 分子名称: | COMPLEMENT C5, MEDI7814, SULFATE ION | | 著者 | Colley, C, Sridharan, S, Dobson, C, Popovic, B, Debreczeni, J.E, Hargreaves, D, Edwards, B, Brennan, J, England, L, Fung, S, An Eghobamien, L, Sivars, U, Woods, R, Flavell, L, Renshaw, G.J, Wickson, K, Wilkinson, T, Davies, R, Bonnell, J, Warrener, P, Howes, R, Vaughan, T. | | 登録日 | 2014-07-25 | | 公開日 | 2015-08-12 | | 最終更新日 | 2019-02-27 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structure and characterization of a high affinity C5a monoclonal antibody that blocks binding to C5aR1 and C5aR2 receptors.
MAbs, 10, 2018
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1A18
 | | PHENANTHROLINE MODIFIED MURINE ADIPOCYTE LIPID BINDING PROTEIN | | 分子名称: | ADIPOCYTE LIPID BINDING PROTEIN | | 著者 | Ory, J, Mazhary, A, Kuang, H, Davies, R, Distefano, M, Banaszak, L. | | 登録日 | 1997-12-23 | | 公開日 | 1998-07-01 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural characterization of two synthetic catalysts based on adipocyte lipid-binding protein.
Protein Eng., 11, 1998
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1A2D
 | | PYRIDOXAMINE MODIFIED MURINE ADIPOCYTE LIPID BINDING PROTEIN | | 分子名称: | ADIPOCYTE LIPID BINDING PROTEIN, CHLORIDE ION | | 著者 | Ory, J, Mazhary, A, Kuang, H, Davies, R, Distefano, M, Banaszak, L. | | 登録日 | 1997-12-29 | | 公開日 | 1998-07-01 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural characterization of two synthetic catalysts based on adipocyte lipid-binding protein.
Protein Eng., 11, 1998
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3PDF
 | | Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C | | 分子名称: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, B, Laine, D. | | 登録日 | 2010-10-22 | | 公開日 | 2011-10-26 | | 最終更新日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of novel cyanamide-based inhibitors of cathepsin C.
Acs Med.Chem.Lett., 2, 2011
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4RM8
 | | Crystal structure of human ezrin in space group P21 | | 分子名称: | Ezrin | | 著者 | Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G. | | 登録日 | 2014-10-20 | | 公開日 | 2015-12-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
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4RM9
 | | Crystal structure of human ezrin in space group C2221 | | 分子名称: | Ezrin | | 著者 | Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G. | | 登録日 | 2014-10-21 | | 公開日 | 2015-12-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
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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
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1HCT
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1HCS
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6QIU
 | | Crystal structure of 14-3-3 sigma in complex with Ataxin-1 Ser776 phosphopeptide | | 分子名称: | 14-3-3 protein sigma, Ataxin-1 phosphopeptide, CHLORIDE ION, ... | | 著者 | Leysen, S, Milroy, L.G, Davis, J.M, Brunsveld, L, Ottmann, C. | | 登録日 | 2019-01-21 | | 公開日 | 2020-05-13 | | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | | 主引用文献 | Structural insights into the cytoplasmic chaperone effect of 14-3-3 proteins on Ataxin-1
To Be Published
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4YF5
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4YF6
 | | Crystal structure of oxidised Rv1284 | | 分子名称: | Beta-carbonic anhydrase 1, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Hofmann, A. | | 登録日 | 2015-02-25 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.002 Å) | | 主引用文献 | Chemical probing suggests redox-regulation of the carbonic anhydrase activity of mycobacterial Rv1284.
Febs J., 282, 2015
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4YF4
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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
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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
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3P4V
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7OE8
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide | | 分子名称: | (3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 2 | | 著者 | Chung, C. | | 登録日 | 2021-05-02 | | 公開日 | 2021-07-28 | | 最終更新日 | 2021-08-25 | | 実験手法 | X-RAY DIFFRACTION (1.301 Å) | | 主引用文献 | Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors.
J.Med.Chem., 64, 2021
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7OE9
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide | | 分子名称: | (3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 2 | | 著者 | Chung, C. | | 登録日 | 2021-05-02 | | 公開日 | 2021-07-28 | | 最終更新日 | 2021-08-25 | | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | | 主引用文献 | Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors.
J.Med.Chem., 64, 2021
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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
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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
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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
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1SHD
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7QDL
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with I-BET567 | | 分子名称: | (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Chung, C. | | 登録日 | 2021-11-27 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate.
J.Med.Chem., 65, 2022
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