2K13
 
 | | Solution NMR Structure of the Leech Protein Saratin, a Novel Inhibitor of Haemostasis | | 分子名称: | Saratin | | 著者 | Gronwald, W, Bomke, J, Maurer, T, Wisotzki, B, Huber, F, Schumann, F, Kremer, W, Frech, M, Kalbitzer, H.R. | | 登録日 | 2008-02-20 | | 公開日 | 2008-10-21 | | 最終更新日 | 2022-03-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the leech protein saratin and characterization of its binding to collagen
J.Mol.Biol., 381, 2008
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8B7I
 | | Human HSP90 alpha ATP Binding Domain, ATP-lid open conformation, R60A | | 分子名称: | HSP90AA1 protein | | 著者 | Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brutscher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J. | | 登録日 | 2022-09-30 | | 公開日 | 2022-11-16 | | 最終更新日 | 2022-12-28 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Visualizing the transiently populated closed-state of human HSP90 ATP binding domain.
Nat Commun, 13, 2022
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8B7J
 | | Human HSP90 alpha ATP Binding Domain, ATP-lid closed conformation, R46A | | 分子名称: | HSP90AA1 protein | | 著者 | Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brustcher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J. | | 登録日 | 2022-09-30 | | 公開日 | 2022-11-16 | | 最終更新日 | 2022-12-28 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Visualizing the transiently populated closed-state of human HSP90 ATP binding domain.
Nat Commun, 13, 2022
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1L5G
 | | CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN AVB3 IN COMPLEX WITH AN ARG-GLY-ASP LIGAND | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A. | | 登録日 | 2002-03-06 | | 公開日 | 2002-04-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
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1M1X
 | | CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHA VBETA3 BOUND TO MN2+ | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A. | | 登録日 | 2002-06-20 | | 公開日 | 2002-08-14 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
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5OD7
 | | Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time | | 分子名称: | Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | | 著者 | Schuetz, D.A, Richter, L, Amaral, M, Grandits, M, Musil, D, Graedler, U, Buchstaller, H.-P, Eggenweiler, H.-M, Frech, M, Ecker, G.F, Lehmann, M. | | 登録日 | 2017-07-04 | | 公開日 | 2018-11-21 | | 最終更新日 | 2019-06-05 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J.Med.Chem., 61, 2018
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5OCI
 | | Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide | | 分子名称: | 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide, Heat shock protein HSP 90-alpha | | 著者 | Schuetz, D.A, Richter, L, Amaral, M, Grandits, M, Musil, D, Graedler, U, Frech, M, Ecker, G.F. | | 登録日 | 2017-07-03 | | 公開日 | 2018-05-23 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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4FL3
 | | Structural and Biophysical Characterization of the Syk Activation Switch | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | | 著者 | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | | 登録日 | 2012-06-14 | | 公開日 | 2012-11-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and biophysical characterization of the syk activation switch.
J.Mol.Biol., 425, 2013
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4FL1
 | | Structural and Biophysical Characterization of the Syk Activation Switch | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | | 著者 | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | | 登録日 | 2012-06-14 | | 公開日 | 2012-11-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structural and biophysical characterization of the syk activation switch.
J.Mol.Biol., 425, 2013
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4FL2
 | | Structural and Biophysical Characterization of the Syk Activation Switch | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | | 著者 | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | | 登録日 | 2012-06-14 | | 公開日 | 2012-11-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Structural and biophysical characterization of the syk activation switch.
J.Mol.Biol., 425, 2013
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521P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, H-RAS P21 PROTEIN, MAGNESIUM ION | | 著者 | Schlichting, I, Krengel, U, Kabsch, W, Wittinghofer, A, Pai, E.F. | | 登録日 | 1991-06-06 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
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621P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | 分子名称: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 著者 | Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | | 登録日 | 1991-06-06 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
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1AGP
 | | THREE-DIMENSIONAL STRUCTURES AND PROPERTIES OF A TRANSFORMING AND A NONTRANSFORMING GLY-12 MUTANT OF P21-H-RAS | | 分子名称: | C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 著者 | Franken, S.M, Scheidig, A.J, Wittinghofer, A, Goody, R.S. | | 登録日 | 1993-03-29 | | 公開日 | 1994-04-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras.
Biochemistry, 32, 1993
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421P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | 分子名称: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 著者 | Krengel, U, John, J, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | | 登録日 | 1991-06-06 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
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1CLU
 | | H-RAS COMPLEXED WITH DIAMINOBENZOPHENONE-BETA,GAMMA-IMIDO-GTP | | 分子名称: | 3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-GUANYLATE ESTER, MAGNESIUM ION, TRANSFORMING PROTEIN P21/H-RAS-1 | | 著者 | Ahmadian, M.R, Zor, T, Vogt, D, Kabsch, W, Selinger, Z, Wittinghofer, A, Scheffzek, K. | | 登録日 | 1999-05-03 | | 公開日 | 1999-05-28 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Guanosine triphosphatase stimulation of oncogenic Ras mutants.
Proc.Natl.Acad.Sci.USA, 96, 1999
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221P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | 分子名称: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 著者 | Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | | 登録日 | 1991-06-06 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
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5LO5
 | | HSP90 WITH indole derivative | | 分子名称: | 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile, Heat shock protein HSP 90-alpha | | 著者 | Graedler, U, Amaral, M. | | 登録日 | 2016-08-08 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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5LO6
 | | HSP90 WITH indazole derivative | | 分子名称: | 3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide, Heat shock protein HSP 90-alpha | | 著者 | Graedler, U, Amaral, M. | | 登録日 | 2016-08-08 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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5NYH
 | | Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative | | 分子名称: | Heat shock protein HSP 90-alpha, ~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{H}-indazole-5-carboxamide | | 著者 | Amaral, M. | | 登録日 | 2017-05-11 | | 公開日 | 2018-04-18 | | 最終更新日 | 2018-06-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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5ODX
 | | Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative | | 分子名称: | 3-[(3~{S})-3-methoxypiperidin-1-yl]carbonyl-~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha | | 著者 | Amaral, M, Schuetz, D. | | 登録日 | 2017-07-07 | | 公開日 | 2018-04-18 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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5LO0
 | | HSP90 WITH indazole derivative | | 分子名称: | Heat shock protein HSP 90-alpha, [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | | 著者 | Graedler, U, Amaral, M, Schuetz, D. | | 登録日 | 2016-08-08 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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5LNZ
 | | HSP90 WITH indazole derivative | | 分子名称: | Heat shock protein HSP 90-alpha, ~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide | | 著者 | Graedler, U, Amaral, M, Schuetz, D. | | 登録日 | 2016-08-08 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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5LO1
 | | HSP90 WITH indazole derivative | | 分子名称: | 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide, Heat shock protein HSP 90-alpha | | 著者 | Graedler, U, Amaral, M, Schuetz, D. | | 登録日 | 2016-08-08 | | 公開日 | 2017-11-29 | | 最終更新日 | 2018-06-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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5LNY
 | | HSP90 WITH indazole derivative | | 分子名称: | 6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide, Heat shock protein HSP 90-alpha | | 著者 | Graedler, U, Amaral, M, Schuetz, D. | | 登録日 | 2016-08-08 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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1RVD
 | | H-RAS COMPLEXED WITH DIAMINOBENZOPHENONE-BETA,GAMMA-IMIDO-GTP | | 分子名称: | 3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-GUANYLATE ESTER, MAGNESIUM ION, TRANSFORMING PROTEIN P21/H-RAS-1 | | 著者 | Ahmadian, M.R, Zor, T, Vogt, D, Kabsch, W, Selinger, Z, Wittinghofer, A, Scheffzek, K. | | 登録日 | 1999-05-03 | | 公開日 | 1999-05-28 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Guanosine triphosphatase stimulation of oncogenic Ras mutants.
Proc.Natl.Acad.Sci.USA, 96, 1999
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