Author results

2WFD
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STRUCTURE OF THE HUMAN CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN
分子名称:LEUCYL-TRNA SYNTHETASE, CYTOPLASMIC
著者Seiradake, E., Mao, W., Hernandez, V., Baker, S.J., Plattner, J.J., Alley, M.R.K., Cusack, S.
登録日2009-04-03
公開日2009-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
2WFE
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STRUCTURE OF THE CANDIDA ALBICANS CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN
分子名称:CYTOSOLIC LEUCYL-TRNA SYNTHETASE
著者Seiradake, E., Mao, W., Hernandez, V., Baker, S.J., Plattner, J.J., Alley, M.R.K., Cusack, S.
登録日2009-04-04
公開日2009-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
2WFG
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STRUCTURE OF THE CANDIDA ALBICANS CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN BOUND TO A BENZOXABOROLE-AMP ADDUCT
分子名称:CYTOSOLIC LEUCYL-TRNA SYNTHETASE, [(1S,3S,5R,6R,8R)-6-(6-AMINOPURIN-9-YL)-4'-ETHYLAMINO-3'-FLUORO-SPIRO[2,4,7-TRIOXA-3-BORANUIDABICYCLO[3.3.0]OCTANE-3,7'-8-OXA-7-BORANUIDABICYCLO[4.3.0]NONA-1,3,5-TRIENE]-8-YL]METHYL DIHYDROGEN PHOSPHATE
著者Seiradake, E., Mao, W., Hernandez, V., Baker, S.J., Plattner, J.J., Alley, M.R.K., Cusack, S.
登録日2009-04-05
公開日2009-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
2XCF
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR
分子名称:NS3 PROTEASE, NS4A, ZINC ION, ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Li, Q., Zhou, Y., Plattner, J.J., Baker, S.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., White, G.V., Mordaunt, J.E., Lazarides, L.X., Slater, M.J., Jarvest, R.L., Thommes, P., Ellis, M., Edge, C.M., Hubbard, J.A., Nassau, P., McDowell, B., Skarzynski, T.J., Rowland, P., Somers, D.O., Kazmierski, W.M., Grimes, R.M., Wright, L.L., Smith, G.K., Zou, W., Wright, J., Pennicott, L.E.
登録日2010-04-22
公開日2010-06-02
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XCN
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR
分子名称:NS3 PROTEASE, NS4A, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Li, Q., Zhou, Y., Plattner, J.J., Baker, S.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., White, G.V., Mordaunt, J.E., Lazarides, L.X., Slater, M.J., Jarvest, R.L., Thommes, P., Ellis, M., Edge, C.M., Hubbard, J.A., Nassau, P., McDowell, B., Skarzynski, T.J., Rowland, P., Somers, D.O., Kazmierski, W.M., Grimes, R.M., Wright, L.L., Smith, G.K., Zou, W., Wright, J., Pennicott, L.E.
登録日2010-04-23
公開日2010-06-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XNI
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PROTEIN-LIGAND COMPLEX OF A NOVEL MACROCYCLIC HCV NS3 PROTEASE INHIBITOR DERIVED FROM AMINO CYCLIC BORONATES
分子名称:NS3 PROTEASE, NS4A COFACTOR, (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Zhou, Y., Li, Q., Plattner, J.J., Baker, S.J., Zhang, S., Kazmierski, W.M., Wright, L.L., Smith, G.K., Grimes, R.M., Crosby, R.M., Creech, K.L., Carballo, L.H., Slater, M.J., Jarvest, R.L., Thommes, P., Hubbard, J.A., Convery, M.A., Nassau, P.M., McDowell, W., Skarzynski, T.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., Pennicott, L.E., Zou, W., Wright, J.
登録日2010-08-02
公開日2011-08-17
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
3ZJT
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TERNARY COMPLEX OF E.COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU)574 AND THE BENZOXABOROLE AN3017 IN THE EDITING CONFORMATION
分子名称:LEUCYL-TRNA SYNTHETASE, TRNALEU5 UAA ISOACCEPTOR, MAGNESIUM ION
著者Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
登録日2013-01-18
公開日2013-04-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJU
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TERNARY COMPLEX OF E .COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU) AND THE BENZOXABOROLE AN3016 IN THE EDITING CONFORMATION
分子名称:LEUCYL-TRNA SYNTHETASE, TRNALEU5 UAA ISOACCEPTOR, MAGNESIUM ION
著者Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
登録日2013-01-18
公開日2013-04-17
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJV
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TERNARY COMPLEX OF E .COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU) AND THE BENZOXABOROLE AN3213 IN THE EDITING CONFORMATION
分子名称:LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR
著者Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
登録日2013-01-18
公開日2013-04-17
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3DBS
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STRUCTURE OF PI3K GAMMA IN COMPLEX WITH GDC0941
分子名称:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
著者Wiesmann, C., Ultsch, M.
登録日2008-06-02
公開日2008-06-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer
J.Med.Chem., 51, 2008
5J17
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SOLUTION STRUCTURE OF RAS BINDING DOMAIN (RBD) OF B-RAF
分子名称:Serine/threonine-protein kinase B-raf
著者Dutta, K., Vasquez-Del Carpio, R., Aggarwal, A.K., Reddy, E.P.
登録日2016-03-29
公開日2016-10-05
最終更新日2017-09-20
実験手法SOLUTION NMR
主引用文献A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling.
Cell, 165, 2016
5J18
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SOLUTION STRUCTURE OF RAS BINDING DOMAIN (RBD) OF B-RAF COMPLEXED WITH RIGOSERTIB (COMPLEX I)
分子名称:Serine/threonine-protein kinase B-raf, N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
著者Dutta, K., Vasquez-Del Carpio, R., Aggarwal, A.K., Reddy, E.P.
登録日2016-03-29
公開日2016-05-04
実験手法SOLUTION NMR
主引用文献A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling.
Cell, 165, 2016
5J2R
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SOLUTION STRUCTURE OF RAS BINDING DOMAIN (RBD) OF B-RAF
分子名称:Serine/threonine-protein kinase B-raf, N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
著者Dutta, K., Vasquez-Del Carpio, R., Aggarwal, A.K., Reddy, E.P.
登録日2016-03-29
公開日2016-05-04
実験手法SOLUTION NMR
主引用文献A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling.
Cell, 165, 2016