6B3G
 
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3IIE
 | | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis. | | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MAGNESIUM ION | | 著者 | Osipiuk, J, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2009-07-31 | | 公開日 | 2009-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | X-ray crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis.
To be Published
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2XF0
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | | 登録日 | 2010-05-19 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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1M8S
 | | Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 5.9) | | 分子名称: | 1,4-BUTANEDIOL, CADMIUM ION, phospholipase a2 | | 著者 | Xu, S, Gu, L, Zhou, Y, Lin, Z. | | 登録日 | 2002-07-25 | | 公開日 | 2003-02-11 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio
Biochem.Biophys.Res.Commun., 300, 2003
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1M8R
 | | Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 7.4) | | 分子名称: | 1,4-BUTANEDIOL, CADMIUM ION, phospholipase A2 | | 著者 | Xu, S, Gu, L, Zhou, Y, Lin, Z. | | 登録日 | 2002-07-25 | | 公開日 | 2003-02-11 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio
Biochem.Biophys.Res.Commun., 300, 2003
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4RX4
 | | Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC134 in complex with HIV-1 clade A Q842.d12 gp120 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC134 Heavy chain, ... | | 著者 | Zhou, T, Acharya, P, Moquin, S, Kwong, P.D. | | 登録日 | 2014-12-08 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
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2YER
 | | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L. | | 登録日 | 2011-03-30 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4O0V
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5C24
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-6,8-dimethylindolizine-2-carbonitrile (JLJ605), a non-nucleoside inhibitor | | 分子名称: | 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | 著者 | Frey, K.M, Anderson, K.S. | | 登録日 | 2015-06-15 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 25, 2015
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7JR8
 | | H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTATHIONE, ... | | 著者 | Nolte, R.T, Somers, D.O, Gampe, R.T. | | 登録日 | 2020-08-11 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
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4U1M
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2014-07-15 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1H
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GAG protein, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2014-07-15 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1L
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2014-07-15 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1N
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2014-07-15 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1S
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2014-07-16 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1K
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2014-07-15 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4BR3
 | | Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies | | 分子名称: | 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium, 3-benzyladenine, CHOLINE KINASE ALPHA, ... | | 著者 | Sahun-Roncero, M, Rubio-Ruiz, B, Conejo-Garcia, A, Velazquez-Campoy, A, Entrena, A, Hurtado-Guerrero, R. | | 登録日 | 2013-06-03 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Determination of Potential Scaffolds for Human Choline Kinase Alpha 1 by Chemical Deconvolution Studies
Chembiochem, 14, 2013
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3GUR
 | | Crystal Structure of mu class glutathione S-transferase (GSTM2-2) in complex with glutathione and 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) | | 分子名称: | 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase Mu 2, ... | | 著者 | Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M. | | 登録日 | 2009-03-30 | | 公開日 | 2009-10-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
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5C25
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-5,7-dimethyl-2-naphthonitrile (JLJ639), a Non-nucleoside Inhibitor | | 分子名称: | 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | 著者 | Chan, A.H, Frey, K.M, Anderson, K.S. | | 登録日 | 2015-06-15 | | 公開日 | 2015-07-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.841 Å) | | 主引用文献 | Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 25, 2015
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3LL4
 | | Structure of the H13A mutant of Ykr043C in complex with fructose-1,6-bisphosphate | | 分子名称: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Uncharacterized protein YKR043C | | 著者 | Singer, A, Xu, X, Cui, H, Dong, A, Stogios, P.J, Edwards, A.M, Joachimiak, A, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2010-01-28 | | 公開日 | 2010-03-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
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3L79
 | | Crystal Structure of Glycogen Phosphorylase DK1 complex | | 分子名称: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | 著者 | Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. | | 登録日 | 2009-12-28 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
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2V29
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5CQ1
 | | Disproportionating enzyme 1 from Arabidopsis - cycloamylose soak | | 分子名称: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | | 著者 | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | | 登録日 | 2015-07-21 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
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5CPT
 | | Disproportionating enzyme 1 from Arabidopsis - beta cyclodextrin soak | | 分子名称: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | | 著者 | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | | 登録日 | 2015-07-21 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
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3M8Q
 | | HIV-1 RT with AMINOPYRIMIDINE NNRTI | | 分子名称: | 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Harris, S.F, Villasenor, A. | | 登録日 | 2010-03-18 | | 公開日 | 2010-05-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
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