2K8Z
 
 | | Dimeric solution structure of the DNA loop d(TCGTTGCT) | | 分子名称: | 5'-D(*TP*CP*GP*TP*TP*GP*CP*T)-3' | | 著者 | Viladoms, J, Escaja, N, Frieden, M, Gomez-Pinto, I, Pedroso, E, Gonzalez, C. | | 登録日 | 2008-09-29 | | 公開日 | 2009-04-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Self-association of short DNA loops through minor groove C:G:G:C tetrads.
Nucleic Acids Res., 37, 2009
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7KJZ
 | | crystal structure of PLEKHA7 PH domain biding inositol-tetraphosphate | | 分子名称: | 1,2-ETHANEDIOL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Pleckstrin homology domain-containing family A member 7 | | 著者 | Marassi, F.M, Aleshin, A.E, Liddington, R.C. | | 登録日 | 2020-10-26 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
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2OO5
 | | Structure of transhydrogenase (dI.H2NADH)2(dIII.NADP+)1 asymmetric complex | | 分子名称: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | | 著者 | Bhakta, T, Jackson, J.B. | | 登録日 | 2007-01-25 | | 公開日 | 2007-03-13 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structures of the dI(2)dIII(1) Complex of Proton-Translocating Transhydrogenase with Bound, Inactive Analogues of NADH and NADPH Reveal Active Site Geometries
Biochemistry, 46, 2007
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1NT1
 | | thrombin in complex with selective macrocyclic inhibitor | | 分子名称: | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE, Hirudin, thrombin | | 著者 | Nantermet, P.G, Barrow, J.C, Newton, C.L, Pellicore, J.M, Young, M, Lewis, S.D, Lucas, B.J, Krueger, J.A, McMasters, D.R, Yan, Y, Kuo, L.C, Vacca, J.P, Selnick, H.G. | | 登録日 | 2003-01-28 | | 公開日 | 2003-09-02 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and synthesis of potent and selective macrocyclic thrombin inhibitors
Bioorg.Med.Chem.Lett., 13, 2003
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1XNN
 | | CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH (3A-ALPHA-,4-ALPHA 7-ALPHA-,7A-ALPHA-)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE. | | 分子名称: | Androgen receptor, REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE | | 著者 | Sack, J. | | 登録日 | 2004-10-05 | | 公開日 | 2005-10-11 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists.
Bioorg.Med.Chem.Lett., 15, 2005
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7XAF
 | | The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | | 分子名称: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | | 著者 | Zhang, Z.M, Wang, Y.J. | | 登録日 | 2022-03-17 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.001182 Å) | | 主引用文献 | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
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1NMK
 | | The Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure and Binding Data | | 分子名称: | (13E,15E)-(3S,6S,9R,10R,11S,12S,18S,21S)-10,12-DIHYDROXY-3-(3-HYDROXYBEN-ZYL)-18-((E)-3-HYDROXY-1-METHYLPROPENYL)-6-ISOPROPYL-11-METHYL-9-(3-OXO-BUTYL)-19-OXA-1,4,7,25-TETRAAZA-BICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRAONE, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Kallen, J, Sedrani, R, Wagner, J. | | 登録日 | 2003-01-10 | | 公開日 | 2003-04-01 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure and Binding Data
J.Am.Chem.Soc., 125, 2003
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1NWK
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2NSI
 | | HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE, ZN-FREE, SEITU COMPLEX | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, PROTEIN (NITRIC OXIDE SYNTHASE), ... | | 著者 | Li, H, Raman, C.S, Glaser, C.B, Blasko, E, Young, T.A, Parkinson, J.F, Whitlow, M, Poulos, T.L. | | 登録日 | 1999-01-11 | | 公開日 | 2000-01-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structures of zinc-free and -bound heme domain of human inducible nitric-oxide synthase. Implications for dimer stability and comparison with endothelial nitric-oxide synthase.
J.Biol.Chem., 274, 1999
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5QIK
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide | | 分子名称: | GLYCEROL, N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1 | | 著者 | Sheriff, S. | | 登録日 | 2018-08-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
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1V40
 | | First Inhibitor Complex Structure of Human Hematopoietic Prostaglandin D Synthase | | 分子名称: | 3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM, GLUTATHIONE, GLYCEROL, ... | | 著者 | Inoue, T, Okano, Y, Kado, Y, Aritake, K, Irikura, D, Uodome, N, Kinugasa, S, Okazaki, N, Matsumura, H, Kai, Y, Urade, Y. | | 登録日 | 2003-11-07 | | 公開日 | 2004-11-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | First determination of the inhibitor complex structure of human hematopoietic prostaglandin D synthase.
J.Biochem.(Tokyo), 135, 2004
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2KR5
 | | Solution Structure of an Acyl Carrier Protein Domain from Fungal Type I Polyketide Synthase | | 分子名称: | 4'-PHOSPHOPANTETHEINE, Aflatoxin biosynthesis polyketide synthase | | 著者 | Wattana-amorn, P, Williams, C, Ploskon, E, Cox, R.J, Simpson, T.J, Crosby, J, Crump, M.P. | | 登録日 | 2009-12-03 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of an acyl carrier protein domain from a fungal type I polyketide synthase.
Biochemistry, 49, 2010
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2HRI
 | | A parallel stranded human telomeric quadruplex in complex with the porphyrin TMPyP4 | | 分子名称: | (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, 5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3', POTASSIUM ION | | 著者 | Parkinson, G.N, Ghosh, R, Neidle, S. | | 登録日 | 2006-07-20 | | 公開日 | 2007-05-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural basis for binding of porphyrin to human telomeres.
Biochemistry, 46, 2007
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7LAN
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | 著者 | Khan, J.A. | | 登録日 | 2021-01-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
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1QBY
 | | THE SOLUTION STRUCTURE OF A BAY-REGION 1R-BENZ[A]ANTHRACENE OXIDE ADDUCT AT THE N6 POSITION OF ADENINE OF AN OLIGODEOXYNUCLEOTIDE CONTAINING THE HUMAN N-RAS CODON 61 SEQUENCE | | 分子名称: | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL, 5'-D(*CP*GP*GP*AP*CP*(BZA)AP*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP* G)-3' | | 著者 | Li, Z, Mao, H, Kim, H.-Y, Tamura, P.J, Harris, C.M, Harris, T.M, Stone, M.P. | | 登録日 | 1999-04-27 | | 公開日 | 1999-05-06 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Intercalation of the (-)-(1R,2S,3R, 4S)-N6-[1-benz[a]anthracenyl]-2'-deoxyadenosyl adduct in an oligodeoxynucleotide containing the human N-ras codon 61 sequence.
Biochemistry, 38, 1999
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2OOR
 | | Structure of transhydrogenase (dI.NAD+)2(dIII.H2NADPH)1 asymmetric complex | | 分子名称: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, ... | | 著者 | Bhakta, T, Jackson, J.B. | | 登録日 | 2007-01-26 | | 公開日 | 2007-03-13 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Structures of the dI(2)dIII(1) Complex of Proton-Translocating Transhydrogenase with Bound, Inactive Analogues of NADH and NADPH Reveal Active Site Geometries
Biochemistry, 46, 2007
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2K90
 | | Dimeric solution structure of the DNA loop d(TGCTTCGT) | | 分子名称: | 5'-D(*TP*GP*CP*TP*TP*CP*GP*T)-3' | | 著者 | Viladoms, J, Escaja, N, Frieden, M, Gomez-Pinto, I, Pedroso, E, Gonzalez, C. | | 登録日 | 2008-09-29 | | 公開日 | 2009-04-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Self-association of short DNA loops through minor groove C:G:G:C tetrads.
Nucleic Acids Res., 37, 2009
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2K97
 | | Dimeric solution structure of the cyclic octamer d(pCGCTCCGT) | | 分子名称: | 5'-D(P*CP*GP*CP*TP*CP*CP*GP*T)-3' | | 著者 | Viladoms, J, Escaja, N, Frieden, M, Gomez-Pinto, I, Pedroso, E, Gonzalez, C. | | 登録日 | 2008-09-30 | | 公開日 | 2009-04-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Self-association of short DNA loops through minor groove C:G:G:C tetrads.
Nucleic Acids Res., 37, 2009
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2LBS
 | | Solution structure of double-stranded RNA binding domain of S. cerevisiae RNase III (Rnt1p) in complex with AAGU tetraloop hairpin | | 分子名称: | RNA (32-MER), Ribonuclease 3 | | 著者 | Wang, Z, Hartman, E, Roy, K, Chanfreau, G, Feigon, J. | | 登録日 | 2011-04-06 | | 公開日 | 2011-08-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of a Yeast RNase III dsRBD Complex with a Noncanonical RNA Substrate Provides New Insights into Binding Specificity of dsRBDs.
Structure, 19, 2011
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2QEG
 | | B-DNA with 7-deaza-dG modification | | 分子名称: | DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DTP*DCP*(7GU)P*DCP*DG)-3') | | 著者 | Wang, F, Li, F, Ganguly, M, Marky, L.A, Gold, B, Egli, M, Stone, M.P. | | 登録日 | 2007-06-25 | | 公開日 | 2008-05-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A bridging water anchors the tethered 5-(3-aminopropyl)-2'-deoxyuridine amine in the DNA major groove proximate to the N+2 C.G base pair: implications for formation of interstrand 5'-GNC-3' cross-links by nitrogen mustards.
Biochemistry, 47, 2008
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1N96
 | | DIMERIC SOLUTION STRUCTURE OF THE CYCLIC OCTAMER CD(CGCTCATT) | | 分子名称: | CYCLIC OLIGONUCLEOTIDE D(CGCTCATT) | | 著者 | Escaja, N, Gelpi, J.L, Orozco, M, Rico, M, Pedroso, E, Gonzalez, C. | | 登録日 | 2002-11-22 | | 公開日 | 2003-05-13 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Four-stranded DNA structure stabilized by a novel G:C:A:T tetrad.
J.Am.Chem.Soc., 125, 2003
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1WKC
 | | Crystal structure of a 5-formyltetrahydrofolate cycloligase-related protein from Thermus thermophilus HB8 | | 分子名称: | HB8 TT1367 protein, SULFATE ION | | 著者 | Yanai, H, Tsuge, H, Utsunomiya, H, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2004-05-31 | | 公開日 | 2004-12-01 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of a 5-formyltetrahydrofolate cycloligase-related protein from Thermus thermophilus HB8
To be Published
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5NMI
 | | Cytochrome bc1 bound to the inhibitor MJM170 | | 分子名称: | (4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ARG-ASN-TRP-VAL-PRO-THR-ALA-GLN-LEU-TRP-GLY-ALA-VAL-GLY-ALA-VAL-GLY-LEU-VAL-SER-ALA-THR, ... | | 著者 | Capper, N.J, Antonyuk, S.V, Hasnain, S.S. | | 登録日 | 2017-04-05 | | 公開日 | 2017-06-14 | | 最終更新日 | 2018-12-19 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | New paradigms for understanding and step changes in treating active and chronic, persistent apicomplexan infections.
Sci Rep, 6, 2016
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2CMF
 | | Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE | | 著者 | Rydberg, E.H, Brumshtein, B, Greenblatt, H.M, Wong, D.M, Pang, Y.P, Silman, I, Sussman, J.L. | | 登録日 | 2006-05-08 | | 公開日 | 2006-09-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
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1PGZ
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