2YJD
| Stapled peptide bound to Estrogen Receptor Beta | 分子名称: | 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL, ESTROGEN RECEPTOR BETA, STAPLED PEPTIDE | 著者 | Phillips, C, Roberts, L.R, Schade, M, Bent, A, Davies, N.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Irving, S.L. | 登録日 | 2011-05-19 | 公開日 | 2011-08-03 | 最終更新日 | 2017-01-25 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Design and Structure of Stapled Peptides Binding to Estrogen Receptors. J.Am.Chem.Soc., 133, 2011
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2WRD
| structure of H2 japan hemagglutinin | 分子名称: | HEMAGGLUTININ | 著者 | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | 登録日 | 2009-09-01 | 公開日 | 2009-09-29 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957. Proc.Natl.Acad.Sci.USA, 106, 2009
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2WRE
| structure of H2 japan hemagglutinin with human receptor | 分子名称: | HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | 著者 | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | 登録日 | 2009-09-01 | 公開日 | 2009-09-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | 主引用文献 | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957. Proc.Natl.Acad.Sci.USA, 106, 2009
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6F5D
| Trypanosoma brucei F1-ATPase | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase gamma subunit, ATP synthase subunit alpha, ... | 著者 | Montgomery, M.G, Gahura, O, Leslie, A.G.W, Zikova, A, Walker, J.E. | 登録日 | 2017-12-01 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | ATP synthase fromTrypanosoma bruceihas an elaborated canonical F1-domain and conventional catalytic sites. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6HB6
| Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-uridine | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine--tRNA ligase, ... | 著者 | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | 登録日 | 2018-08-09 | 公開日 | 2019-04-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem., 173, 2019
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6HB5
| Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-cytidine | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine--tRNA ligase, ... | 著者 | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | 登録日 | 2018-08-09 | 公開日 | 2019-04-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem., 173, 2019
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2X50
| Crystal structure of Trypanothione reductase from Leishmania infantum in complex with NADPH and silver | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SILVER ION, ... | 著者 | Baiocco, P, Ilari, A, Colotti, G. | 登録日 | 2010-02-03 | 公開日 | 2011-01-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Inhibitory Effect of Silver Nanoparticles on Trypanothione Reductase Activity and Leishmania Infantum Proliferation Acs Med.Chem.Lett., 2, 2011
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5LIA
| Crystal structure of murine autotaxin in complex with a small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P. | 登録日 | 2016-07-14 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Discovery of potent inhibitors of the lysophospholipase autotaxin. Bioorg. Med. Chem. Lett., 26, 2016
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6HB7
| Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-N3-methyluridine | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine--tRNA ligase, ... | 著者 | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | 登録日 | 2018-08-09 | 公開日 | 2019-04-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem., 173, 2019
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5B8H
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4KXH
| The X-ray crystal structure of a dimeric variant of human pancreatic ribonuclease | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | 著者 | Pica, A, Merlino, A, Mazzarella, L, Sica, F. | 登録日 | 2013-05-26 | 公開日 | 2013-10-02 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Three-dimensional domain swapping and supramolecular protein assembly: insights from the X-ray structure of a dimeric swapped variant of human pancreatic RNase. Acta Crystallogr.,Sect.D, 69, 2013
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4OW4
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3AN3
| Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S | 分子名称: | (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K. | 登録日 | 2010-08-30 | 公開日 | 2011-07-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship J.Med.Chem., 54, 2011
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3AN4
| Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R | 分子名称: | (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K. | 登録日 | 2010-08-30 | 公開日 | 2011-07-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship J.Med.Chem., 54, 2011
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2O2I
| Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,3-propandiol | 分子名称: | 1,3-PROPANDIOL, BROMIDE ION, Haloalkane dehalogenase 3 | 著者 | Mazumdar, P.A, Hulecki, J, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2006-11-29 | 公開日 | 2007-11-13 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,3-propandiol To be Published
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5FPW
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5EMY
| Human Pancreatic Alpha-Amylase in complex with the mechanism based inactivator glucosyl epi-cyclophellitol | 分子名称: | (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, CALCIUM ION, CHLORIDE ION, ... | 著者 | Caner, S, Brayer, G.D. | 登録日 | 2015-11-06 | 公開日 | 2016-07-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.231 Å) | 主引用文献 | Glucosyl epi-cyclophellitol allows mechanism-based inactivation and structural analysis of human pancreatic alpha-amylase. Febs Lett., 590, 2016
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5C5V
| Recombinant Inorganic Pyrophosphatase from T brucei brucei | 分子名称: | 1,2-ETHANEDIOL, Acidocalcisomal pyrophosphatase, BROMIDE ION, ... | 著者 | Jamwal, A, Yogavel, M, Sharma, A. | 登録日 | 2015-06-22 | 公開日 | 2015-11-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural and Functional Highlights of Vacuolar Soluble Protein 1 from Pathogen Trypanosoma brucei brucei J.Biol.Chem., 290, 2015
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5GVP
| Plasmodium vivax SHMT bound with PLP-glycine and GS654 | 分子名称: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVN
| Plasmodium vivax SHMT bound with PLP-glycine and GS653 | 分子名称: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5CW0
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5GVL
| Plasmodium vivax SHMT bound with PLP-glycine and GS182 | 分子名称: | (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVM
| Plasmodium vivax SHMT bound with PLP-glycine and GS557 | 分子名称: | 2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVK
| Plasmodium vivax SHMT bound with PLP-glycine and GS256 | 分子名称: | 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5E29
| Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide | 分子名称: | 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate, 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID, CACODYLATE ION, ... | 著者 | Safo, M.K, Deshpande, T.M. | 登録日 | 2015-09-30 | 公開日 | 2015-10-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Prodrugs as Drug Candidates for the Treatment of Ischemic Disorders: Insights into NO-Releasing Prodrug Biotransformation and Hemoglobin-NO Biochemistry. Biochemistry, 54, 2015
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