4I80
 
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3OSV
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3LFL
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3SPF
 | | Crystal Structure of Bcl-xL bound to BM501 | | 分子名称: | 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2011-07-01 | | 公開日 | 2012-06-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012
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3SP7
 | | Crystal Structure of Bcl-xL bound to BM903 | | 分子名称: | 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid, ACETATE ION, Bcl-2-like protein 1, ... | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2011-07-01 | | 公開日 | 2012-07-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors
To be Published
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6OCO
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 | | 分子名称: | 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Lesburg, C.A, Augustin, M.A. | | 登録日 | 2019-03-25 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6OCU
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | | 分子名称: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Lesburg, C.A, Augustin, M.A. | | 登録日 | 2019-03-25 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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3VLN
 | | Human Glutathione Transferase O1-1 C32S Mutant in Complex with Ascorbic Acid | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ASCORBIC ACID, ... | | 著者 | Brock, J, Board, P.G, Oakley, A.J. | | 登録日 | 2011-12-02 | | 公開日 | 2012-05-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
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6XON
 | | DCN1 bound to inhibitor 9 | | 分子名称: | (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide, Lysozyme DCN1-like protein 1 chimera | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOQ
 | | DCN1 covalently bound to inhibitor 4 | | 分子名称: | (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide, Lysozyme, DCN1-like protein 1 chimera | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOO
 | | DCN1 bound to DI-1859 | | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOM
 | | DCN1 bound to 8 | | 分子名称: | (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide, 1,2-ETHANEDIOL, Lysozyme, ... | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOL
 | | DCN1 bound to DI-1548 | | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOP
 | | DCN1 bound to inhibitor 10 | | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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4XEO
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6FWB
 | | Crystal structure of Mat2A at 1.79 Angstron resolution | | 分子名称: | GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ... | | 著者 | Zhou, A, Wei, Z, Bai, J, Wang, H. | | 登録日 | 2018-03-06 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
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6PU7
 | | Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide) | | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Lesburg, C.A. | | 登録日 | 2019-07-17 | | 公開日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Acs Med.Chem.Lett., 10, 2019
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6JM5
 | | Crystal structure of TBC1D23 C terminal domain | | 分子名称: | SODIUM ION, TBC1 domain family member 23 | | 著者 | Sun, Q, Huang, W. | | 登録日 | 2019-03-07 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural and functional studies of TBC1D23 C-terminal domain provide a link between endosomal trafficking and PCH.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6K0Y
 | | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor | | 分子名称: | 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ... | | 著者 | Liu, J.X, Wang, G.Q. | | 登録日 | 2019-05-08 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor.
Sci Rep, 9, 2019
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5HLH
 | | Crystal structure of the overoxidized AbfR bound to DNA | | 分子名称: | DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator | | 著者 | Liu, G, Liu, X, Gan, J, Yang, C.-G. | | 登録日 | 2016-01-15 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
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4U97
 | | Crystal Structure of Asymmetric IRAK4 Dimer | | 分子名称: | Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION | | 著者 | Ferrao, R, Wu, H. | | 登録日 | 2014-08-05 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
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4U9A
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5UJJ
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5UJI
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5TBP
 | | Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003 | | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X. | | 登録日 | 2016-09-12 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha.
Nat Commun, 8, 2017
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