2ZOO
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![BU of 2zoo by Molmil](/molmil-images/mine/2zoo) | Crystal structure of nitrite reductase from Pseudoalteromonas haloplanktis TAC125 | 分子名称: | COPPER (II) ION, PROTOPORPHYRIN IX CONTAINING FE, Probable nitrite reductase, ... | 著者 | Nojiri, M, Tsuda, A, Yamaguchi, K, Suzuki, S. | 登録日 | 2008-05-27 | 公開日 | 2009-06-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Electron transfer processes within and between proteins containing the HEME C and blue Cu To be Published
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2RRR
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![BU of 2rrr by Molmil](/molmil-images/mine/2rrr) | DNA oligomer containing ethylene cross-linked cyclic 2'-deoxyuridylate dimer | 分子名称: | DNA (5'-D(*CP*CP*TP*TP*CP*AP*TP*TP*AP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*GP*TP*AP*AP*TP*GP*AP*AP*GP*G)-3') | 著者 | Furuita, K, Murata, S, Jee, J.G, Ichikawa, S, Matsuda, A, Kojima, C. | 登録日 | 2011-03-24 | 公開日 | 2011-06-08 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Feature of Bent DNA Recognized by HMGB1 J.Am.Chem.Soc., 133, 2011
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2RRQ
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![BU of 2rrq by Molmil](/molmil-images/mine/2rrq) | DNA oligomer containing propylene cross-linked cyclic 2'-deoxyuridylate dimer | 分子名称: | DNA (5'-D(*CP*CP*TP*TP*CP*AP*(JDT)P*TP*AP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*GP*TP*AP*AP*TP*GP*AP*AP*GP*G)-3') | 著者 | Furuita, K, Murata, S, Jee, J.G, Ichikawa, S, Matsuda, A, Kojima, C. | 登録日 | 2011-03-24 | 公開日 | 2011-06-08 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Feature of Bent DNA Recognized by HMGB1 J.Am.Chem.Soc., 133, 2011
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2DQQ
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![BU of 2dqq by Molmil](/molmil-images/mine/2dqq) | Crystal Structure of d(CXCTXCTTC):r(gaagaagag) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine | 分子名称: | (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*(OMU)P*DCP*DTP*(OMU)P*DCP*DTP*DTP*DC)-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3') | 著者 | Juan, E.C.M, Kondo, J, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | 登録日 | 2006-05-29 | 公開日 | 2007-04-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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2DPC
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![BU of 2dpc by Molmil](/molmil-images/mine/2dpc) | Crystal Structure of d(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine | 分子名称: | (6-AMINOHEXYL)CARBAMIC ACID, COBALT (II) ION, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*(OMU)P*DCP*DGP*DCP*DG)-3'), ... | 著者 | Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | 登録日 | 2006-05-08 | 公開日 | 2007-04-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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2DQP
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![BU of 2dqp by Molmil](/molmil-images/mine/2dqp) | Structural analyses of DNA:DNA and RNA:DNA duplexes containing 5-(N-aminohexyl)carbamoyl modified uridines | 分子名称: | (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*(OMU)P*DCP*DTP*(OMU)P*DCP*DTP*DTP*DC)-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3') | 著者 | Juan, E.C.M, Kondo, J, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | 登録日 | 2006-05-29 | 公開日 | 2007-04-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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2DP7
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![BU of 2dp7 by Molmil](/molmil-images/mine/2dp7) | Crystal Structure of D(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-deoxyuridine | 分子名称: | (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DUP*DCP*DGP*DCP*DG)-3'), MAGNESIUM ION, ... | 著者 | Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | 登録日 | 2006-05-08 | 公開日 | 2007-04-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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2DPB
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![BU of 2dpb by Molmil](/molmil-images/mine/2dpb) | Crystal Structure of d(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-deoxyuridine | 分子名称: | (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DUP*DCP*DGP*DCP*DG)-3'), POTASSIUM ION | 著者 | Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | 登録日 | 2006-05-08 | 公開日 | 2007-04-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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2DQO
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![BU of 2dqo by Molmil](/molmil-images/mine/2dqo) | Crystal Structure of d(CXCTXCTTC):r(gaagaagag) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine | 分子名称: | (6-AMINOHEXYL)CARBAMIC ACID, BARIUM ION, DNA (5'-D(*DCP*(OMU)P*DCP*DTP*(OMU)P*DCP*DTP*DTP*DC)-3'), ... | 著者 | Juan, E.C.M, Kondo, J, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | 登録日 | 2006-05-29 | 公開日 | 2007-04-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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3VHA
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![BU of 3vha by Molmil](/molmil-images/mine/3vha) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha | 著者 | Fukami, T.A, Ono, N. | 登録日 | 2011-08-24 | 公開日 | 2012-07-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VHD
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![BU of 3vhd by Molmil](/molmil-images/mine/3vhd) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840 | 分子名称: | 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione, Heat shock protein HSP 90-alpha | 著者 | Fukami, T.A, Ono, N. | 登録日 | 2011-08-24 | 公開日 | 2012-07-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VHC
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![BU of 3vhc by Molmil](/molmil-images/mine/3vhc) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | 分子名称: | 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Fukami, T.A, Ono, N. | 登録日 | 2011-08-24 | 公開日 | 2012-07-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3WHA
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![BU of 3wha by Molmil](/molmil-images/mine/3wha) | Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor | 分子名称: | 4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide, GLYCEROL, Heat shock protein HSP 90-alpha, ... | 著者 | Fukami, T.A, Ono, N. | 登録日 | 2013-08-23 | 公開日 | 2014-01-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors Bioorg.Med.Chem., 22, 2014
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1ERA
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![BU of 1era by Molmil](/molmil-images/mine/1era) | |
1FRA
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![BU of 1fra by Molmil](/molmil-images/mine/1fra) | |
3B28
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![BU of 3b28 by Molmil](/molmil-images/mine/3b28) | Hsp90 alpha N-terminal domain in complex with an inhibitor CH5015765 | 分子名称: | 4-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, GLYCEROL, Heat shock protein HSP 90-alpha, ... | 著者 | Fukami, T.A, Ono, N. | 登録日 | 2011-07-21 | 公開日 | 2011-09-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design Bioorg.Med.Chem.Lett., 21, 2011
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3B24
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![BU of 3b24 by Molmil](/molmil-images/mine/3b24) | Hsp90 alpha N-terminal domain in complex with an aminotriazine fragment molecule | 分子名称: | 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Fukami, T.A, Ono, N. | 登録日 | 2011-07-21 | 公開日 | 2011-09-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design Bioorg.Med.Chem.Lett., 21, 2011
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3B27
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![BU of 3b27 by Molmil](/molmil-images/mine/3b27) | Hsp90 alpha N-terminal domain in complex with an inhibitor Ro4919127 | 分子名称: | 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha | 著者 | Fukami, T.A, Ono, N. | 登録日 | 2011-07-21 | 公開日 | 2011-09-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design Bioorg.Med.Chem.Lett., 21, 2011
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3B26
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![BU of 3b26 by Molmil](/molmil-images/mine/3b26) | Hsp90 alpha N-terminal domain in complex with an inhibitor Ro1127850 | 分子名称: | 4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha | 著者 | Fukami, T.A, Ono, N. | 登録日 | 2011-07-21 | 公開日 | 2011-09-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design Bioorg.Med.Chem.Lett., 21, 2011
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3B25
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![BU of 3b25 by Molmil](/molmil-images/mine/3b25) | Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194 | 分子名称: | 4-Methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine, Heat shock protein HSP 90-alpha | 著者 | Fukami, T.A, Ono, N. | 登録日 | 2011-07-21 | 公開日 | 2011-09-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design Bioorg.Med.Chem.Lett., 21, 2011
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5KCV
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![BU of 5kcv by Molmil](/molmil-images/mine/5kcv) | Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1 | 分子名称: | 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase | 著者 | Eathiraj, S. | 登録日 | 2016-06-07 | 公開日 | 2016-06-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor. J.Med.Chem., 59, 2016
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3UG0
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![BU of 3ug0 by Molmil](/molmil-images/mine/3ug0) | Crystal structure of a Trp-less green fluorescent protein translated by the simplified genetic code | 分子名称: | Green fluorescent protein | 著者 | Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D. | 登録日 | 2011-11-02 | 公開日 | 2012-10-17 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.093 Å) | 主引用文献 | Simplification of the genetic code: restricted diversity of genetically encoded amino acids. Nucleic Acids Res., 40, 2012
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3UFZ
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![BU of 3ufz by Molmil](/molmil-images/mine/3ufz) | Crystal structure of a Trp-less green fluorescent protein translated by the universal genetic code | 分子名称: | Green fluorescent protein | 著者 | Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D. | 登録日 | 2011-11-02 | 公開日 | 2012-10-17 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Simplification of the genetic code: restricted diversity of genetically encoded amino acids. Nucleic Acids Res., 40, 2012
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7KVZ
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![BU of 7kvz by Molmil](/molmil-images/mine/7kvz) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2 | 分子名称: | (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | 著者 | Skene, R.J. | 登録日 | 2020-11-29 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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7KW1
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![BU of 7kw1 by Molmil](/molmil-images/mine/7kw1) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 | 分子名称: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | 著者 | Skene, R. | 登録日 | 2020-11-29 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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