5C7D
 
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17 | | 分子名称: | (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | 登録日 | 2015-06-24 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5DAF
 | | Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64063 | | 分子名称: | (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile, Kelch-like ECH-associated protein 1 | | 著者 | Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C. | | 登録日 | 2015-08-19 | | 公開日 | 2016-08-10 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
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5CYV
 | | Crystal structure of CouR from Rhodococcus jostii RHA1 bound to p-coumaroyl-CoA | | 分子名称: | ACETATE ION, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Stogios, P.J, Xu, X, Dong, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2015-07-30 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | The activity of CouR, a MarR family transcriptional regulator, is modulated through a novel molecular mechanism.
Nucleic Acids Res., 44, 2016
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5BS0
 | | MAGE-A3 Reactive TCR in complex with Titin Epitope in HLA-A1 | | 分子名称: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | 著者 | Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, Lomax, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K. | | 登録日 | 2015-06-01 | | 公開日 | 2016-03-02 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy.
Sci Rep, 6, 2016
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5BTT
 | | Switching GFP fluorescence using genetically encoded phenyl azide chemistry through two different non-native post-translational modifications routes at the same position. | | 分子名称: | GLYCEROL, Green fluorescent protein, SULFATE ION | | 著者 | Hartley, A.M, Worthy, H.L, Reddington, S.C, Rizkallah, P.J, Jones, D.D. | | 登録日 | 2015-06-03 | | 公開日 | 2016-07-13 | | 最終更新日 | 2017-05-10 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Molecular basis for functional switching of GFP by two disparate non-native post-translational modifications of a phenyl azide reaction handle.
Chem Sci, 7, 2016
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5AAF
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14a) | | 分子名称: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A | | 著者 | McIntyre, P.J, Bayliss, R. | | 登録日 | 2015-07-24 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
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5D4K
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5D6D
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5CZJ
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5D4Q
 | | Crystal structure of GASDALIE IgG1 Fc | | 分子名称: | Ig gamma-1 chain C region, alpha-L-fucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Ahmed, A.A, Bjorkman, P.J. | | 登録日 | 2015-08-08 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structural characterization of GASDALIE Fc bound to the activating Fc receptor Fc gamma RIIIa.
J.Struct.Biol., 194, 2016
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7QCP
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7QIB
 | | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UDP | | 分子名称: | CHLORIDE ION, Glucosyl-3-phosphoglycerate synthase, MAGNESIUM ION, ... | | 著者 | Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | | 登録日 | 2021-12-14 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UDP
To Be Published
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7QI9
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7QOQ
 | | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UMP and Magnesium | | 分子名称: | CHLORIDE ION, Glucosyl-3-phosphoglycerate synthase, MAGNESIUM ION, ... | | 著者 | Silva, A, Barbosa Pereira, P.J, Macedo-Ribeiro, S, Costa, D. | | 登録日 | 2021-12-27 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UMP and Magnesium
To Be Published
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7QSJ
 | | Methylmannose polysaccharide hydrolase MmpH from M. hassiacum | | 分子名称: | GLYCEROL, MAGNESIUM ION, Methylmannose polysaccharide hydrolase (MmpH), ... | | 著者 | Ripoll-Rozada, J, Manso, J.A, Pereira, P.J.B. | | 登録日 | 2022-01-13 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Self-recycling and partially conservative replication of mycobacterial methylmannose polysaccharides.
Commun Biol, 6, 2023
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7QSG
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7Q9B
 | | MHC Class I A02 Allele presenting EAAGIGILTV, in complex with Mel8 TCR | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL, ... | | 著者 | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | | 登録日 | 2021-11-12 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | | 主引用文献 | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
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7Q99
 | | MHC Class I A02 Allele presenting NLSALGIFST, in complex with Mel5 TCR | | 分子名称: | 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ... | | 著者 | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | | 登録日 | 2021-11-12 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
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7Q98
 | | MHC Class I A02 Allele presenting NLSALGIFST | | 分子名称: | 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ... | | 著者 | Rizkallah, P.J, Sewell, A.K. | | 登録日 | 2021-11-12 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
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7Q9A
 | | MHC Class I A02 Allele presenting LLLGIGILVL, in complex with Mel5 TCR | | 分子名称: | Beta-2-microglobulin, GLYCEROL, Human Mel5 T Cell Receptor, ... | | 著者 | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | | 登録日 | 2021-11-12 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
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3Q7E
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7QA1
 | | The structure of natural crystals of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated using serial femtosecond crystallography at an X-ray free electron laser | | 分子名称: | Toxin-10 pesticidal protein (Tpp) 49Aa1 | | 著者 | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R, Best, H.L. | | 登録日 | 2021-11-15 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3QQD
 | | Human SOD1 H80R variant, P212121 crystal form | | 分子名称: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | | 著者 | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Schirf, V, Demeler, B, Carroll, M.C, Culotta, V.C, Hart, P.J. | | 登録日 | 2011-02-15 | | 公開日 | 2011-03-09 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | | 主引用文献 | Disrupted zinc-binding sites in structures of pathogenic SOD1 variants D124V and H80R.
Biochemistry, 49, 2010
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3Q6E
 | | Human insulin in complex with cucurbit[7]uril | | 分子名称: | Insulin A chain, Insulin B chain, cucurbit[7]uril | | 著者 | Chinai, J.M, Taylor, A.B, Hargreaves, N.D, Ryno, L.M, Morris, C.A, Hart, P.J, Urbach, A.R. | | 登録日 | 2010-12-31 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Molecular recognition of insulin by a synthetic receptor.
J.Am.Chem.Soc., 133, 2011
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7RCA
 | | Crystal structure of Aro2p chorismate synthase from Candida lusitaniae | | 分子名称: | CHLORIDE ION, Chorismate synthase, SULFATE ION | | 著者 | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2021-07-07 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Crystal structure of Aro2p chorismate synthase from Candida lusitaniae
To Be Published
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