2ZOO
 
 | | Crystal structure of nitrite reductase from Pseudoalteromonas haloplanktis TAC125 | | Descriptor: | COPPER (II) ION, PROTOPORPHYRIN IX CONTAINING FE, Probable nitrite reductase, ... | | Authors: | Nojiri, M, Tsuda, A, Yamaguchi, K, Suzuki, S. | | Deposit date: | 2008-05-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Electron transfer processes within and between proteins containing the HEME C and blue Cu
To be Published
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2RRR
 | | DNA oligomer containing ethylene cross-linked cyclic 2'-deoxyuridylate dimer | | Descriptor: | 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') | | Authors: | Furuita, K, Murata, S, Jee, J.G, Ichikawa, S, Matsuda, A, Kojima, C. | | Deposit date: | 2011-03-24 | | Release date: | 2011-06-08 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Feature of Bent DNA Recognized by HMGB1
J.Am.Chem.Soc., 133, 2011
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2RRQ
 | | DNA oligomer containing propylene cross-linked cyclic 2'-deoxyuridylate dimer | | Descriptor: | 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') | | Authors: | Furuita, K, Murata, S, Jee, J.G, Ichikawa, S, Matsuda, A, Kojima, C. | | Deposit date: | 2011-03-24 | | Release date: | 2011-06-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Feature of Bent DNA Recognized by HMGB1
J.Am.Chem.Soc., 133, 2011
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2DQQ
 | | Crystal Structure of d(CXCTXCTTC):r(gaagaagag) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine | | Descriptor: | (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') | | Authors: | Juan, E.C.M, Kondo, J, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2006-05-29 | | Release date: | 2007-04-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
 | | Crystal Structure of d(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine | | Descriptor: | (6-AMINOHEXYL)CARBAMIC ACID, COBALT (II) ION, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*(OMU)P*DCP*DGP*DCP*DG)-3'), ... | | Authors: | Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2006-05-08 | | Release date: | 2007-04-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 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
 | | Structural analyses of DNA:DNA and RNA:DNA duplexes containing 5-(N-aminohexyl)carbamoyl modified uridines | | Descriptor: | (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') | | Authors: | Juan, E.C.M, Kondo, J, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2006-05-29 | | Release date: | 2007-04-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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
 | | Crystal Structure of D(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-deoxyuridine | | Descriptor: | (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DUP*DCP*DGP*DCP*DG)-3'), MAGNESIUM ION, ... | | Authors: | Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2006-05-08 | | Release date: | 2007-04-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 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
 | | Crystal Structure of d(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-deoxyuridine | | Descriptor: | (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DUP*DCP*DGP*DCP*DG)-3'), POTASSIUM ION | | Authors: | Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2006-05-08 | | Release date: | 2007-04-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 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
 | | Crystal Structure of d(CXCTXCTTC):r(gaagaagag) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine | | Descriptor: | (6-AMINOHEXYL)CARBAMIC ACID, BARIUM ION, DNA (5'-D(*DCP*(OMU)P*DCP*DTP*(OMU)P*DCP*DTP*DTP*DC)-3'), ... | | Authors: | Juan, E.C.M, Kondo, J, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2006-05-29 | | Release date: | 2007-04-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
 | | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | | Descriptor: | 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 | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-08-24 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VHD
 | | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840 | | Descriptor: | 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 | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-08-24 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VHC
 | | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | | Descriptor: | 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 | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-08-24 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3WHA
 | | Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor | | Descriptor: | 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, ... | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2013-08-23 | | Release date: | 2014-01-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 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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1FRA
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3B28
 | | Hsp90 alpha N-terminal domain in complex with an inhibitor CH5015765 | | Descriptor: | 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, ... | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-07-21 | | Release date: | 2011-09-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | 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
 | | Hsp90 alpha N-terminal domain in complex with an aminotriazine fragment molecule | | Descriptor: | 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-07-21 | | Release date: | 2011-09-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
 | | Hsp90 alpha N-terminal domain in complex with an inhibitor Ro4919127 | | Descriptor: | 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-07-21 | | Release date: | 2011-09-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 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
 | | Hsp90 alpha N-terminal domain in complex with an inhibitor Ro1127850 | | Descriptor: | 4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-07-21 | | Release date: | 2011-09-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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
 | | Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194 | | Descriptor: | 4-Methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine, Heat shock protein HSP 90-alpha | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-07-21 | | Release date: | 2011-09-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 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
 | | Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1 | | Descriptor: | 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase | | Authors: | Eathiraj, S. | | Deposit date: | 2016-06-07 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 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
 | | Crystal structure of a Trp-less green fluorescent protein translated by the simplified genetic code | | Descriptor: | Green fluorescent protein | | Authors: | Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D. | | Deposit date: | 2011-11-02 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Simplification of the genetic code: restricted diversity of genetically encoded amino acids.
Nucleic Acids Res., 40, 2012
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3UFZ
 | | Crystal structure of a Trp-less green fluorescent protein translated by the universal genetic code | | Descriptor: | Green fluorescent protein | | Authors: | Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D. | | Deposit date: | 2011-11-02 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Simplification of the genetic code: restricted diversity of genetically encoded amino acids.
Nucleic Acids Res., 40, 2012
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7KVZ
 | | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2 | | Descriptor: | (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 | | Authors: | Skene, R.J. | | Deposit date: | 2020-11-29 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 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
 | | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 | | Descriptor: | (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 | | Authors: | Skene, R. | | Deposit date: | 2020-11-29 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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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