PDB: 160395 件ウェブページステータス検索Chemie searchBIRD

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4N7J	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION 著者 Murray, J.M, Steffek, M. 登録日 2013-10-15 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.673 Å) 主引用文献 Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4N6G	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION 著者 Murray, J.M, Steffek, M. 登録日 2013-10-11 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.142 Å) 主引用文献 Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4NBK	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 分子名称: 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol, Caspase-6, PHOSPHATE ION 著者 Murray, J.M, Steffek, M. 登録日 2013-10-23 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.936 Å) 主引用文献 Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4NBL	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 分子名称: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION 著者 Murray, J.M, Steffek, M. 登録日 2013-10-23 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.756 Å) 主引用文献 Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4N5D	Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ... 著者 Murray, J.M, Steffek, M. 登録日 2013-10-09 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4QXM	Crystal structure of the InhA:GSK_SB713 complex 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Gulten, G, Sacchettini, J.C. 登録日 2014-07-21 公開日 2015-07-22 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.196 Å) 主引用文献 N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity. Chemmedchem, 11, 2016
4NBN	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 分子名称: 2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol, Caspase-6, PHOSPHATE ION 著者 Murray, J.M, Steffek, M. 登録日 2013-10-23 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4N7M	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION 著者 Murray, J.M, Steffek, M. 登録日 2013-10-15 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.125 Å) 主引用文献 Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
5DKI	Yeast 20S proteasome in complex with alkyne-PI 分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... 著者 Beck, P, Cui, H, Groll, M. 登録日 2015-09-03 公開日 2015-10-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation. Chemmedchem, 10, 2015
5DKJ	Yeast 20S proteasome in complex with octreotide-PI 分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... 著者 Beck, P, Cui, H, Groll, M. 登録日 2015-09-03 公開日 2015-10-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation. Chemmedchem, 10, 2015
6XF4	Crystal structure of STING REF variant in complex with E7766 分子名称: (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), 1,2-ETHANEDIOL, Stimulator of interferon genes protein 著者 Chen, Y, Wang, J.Y, Kim, D.-S. 登録日 2020-06-15 公開日 2021-02-17 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
6XF3	Crystal structure of STING in complex with E7766 分子名称: (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), Stimulator of interferon genes protein 著者 Chen, Y, Wang, J.Y, Kim, D.-S. 登録日 2020-06-15 公開日 2021-02-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
6Z4K	A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 6 in P21 space group 分子名称: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... 著者 Amporndanai, K, Hasnain, S.S. 登録日 2020-05-25 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4M	A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group 分子名称: CHLORIDE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... 著者 Amporndanai, K, Hasnain, S.S. 登録日 2020-05-25 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4H	A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group 分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... 著者 Amporndanai, K, Hasnain, S.S. 登録日 2020-05-25 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4L	A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group 分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... 著者 Amporndanai, K, Hasnain, S.S. 登録日 2020-05-25 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4G	A4V mutant of human SOD1 bound with ebselen in P21 space group 分子名称: ACETATE ION, CHLORIDE ION, N-phenyl-2-selanylbenzamide, ... 著者 Amporndanai, K, Hasnain, S.S. 登録日 2020-05-25 公開日 2020-09-16 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z3V	A4V mutant of human SOD1 bound with N-aryl benzoisoselenazolone derivative 13 in P21 space group 分子名称: 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ... 著者 Amporndanai, K, Hasnain, S.S. 登録日 2020-05-22 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4J	A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group 分子名称: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... 著者 Amporndanai, K, Hasnain, S.S. 登録日 2020-05-25 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4I	A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 3 in P21 space group 分子名称: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... 著者 Amporndanai, K, Hasnain, S.S. 登録日 2020-05-25 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4O	A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group 分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... 著者 Amporndanai, K, Hasnain, S.S. 登録日 2020-05-25 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
4M9X	Crystal structure of CED-4 bound CED-3 fragment 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... 著者 Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. 登録日 2013-08-15 公開日 2013-10-23 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.344 Å) 主引用文献 Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013
4M9Y	Crystal structure of CED-4 bound CED-3 fragment 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... 著者 Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. 登録日 2013-08-15 公開日 2013-10-23 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (4.2 Å) 主引用文献 Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013
3WN4	Crystal structure of human TLR8 in complex with DS-877 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butylfuro[2,3-c]quinolin-4-amine, Toll-like receptor 8, ... 著者 Tanji, H, Ohto, U, Shimizu, T. 登録日 2013-12-02 公開日 2014-02-19 最終更新日 2022-08-24 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Structure-based design of novel human Toll-like receptor 8 agonists. Chemmedchem, 9, 2014
4M9Z	Crystal structure of CED-4 bound CED-3 fragment 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... 著者 Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. 登録日 2013-08-15 公開日 2013-10-23 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (3.405 Å) 主引用文献 Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013

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