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4BJO
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NITRATE IN THE ACTIVE SITE OF PTP1B IS A PUTATIVE MIMETIC OF THE TRANSITION STATE
分子名称:TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1, CHLORIDE ION, MAGNESIUM ION, ...
著者Kenny, P.W., Newman, J., Peat, T.S.
登録日2013-04-19
公開日2014-02-12
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Nitrate in the Active Site of Protein Tyrosine Phosphatase 1B is a Putative Mimetic of the Transition State.
Acta Crystallogr.,Sect.D, 70, 2014
2BGD
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STRUCTURE-BASED DESIGN OF PROTEIN TYROSINE PHOSPHATASE-1B INHIBITORS
分子名称:PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1, 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, ...
著者Black, E., Breed, J., Breeze, A.L., Embrey, K., Garcia, R., Gero, T.W., Godfrey, L., Kenny, P.W., Morley, A.D., Minshull, C.A., Pannifer, A.D., Read, J., Rees, A., Russell, D.J., Toader, D., Tucker, J.
登録日2004-12-21
公開日2005-05-04
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2BGE
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STRUCTURE-BASED DESIGN OF PROTEIN TYROSINE PHOSPHATASE-1B INHIBITORS
分子名称:PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1, 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE
著者Black, E., Breed, J., Breeze, A.L., Embrey, K., Garcia, R., Gero, T.W., Godfrey, L., Kenny, P.W., Morley, A.D., Minshull, C.A., Pannifer, A.D., Read, J., Rees, A., Russell, D.J., Toader, D., Tucker, J.
登録日2004-12-21
公開日2005-05-04
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2IEG
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CRYSTAL STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH 3,4-DIHYDRO-2-QUINOLONE
分子名称:Glycogen phosphorylase, muscle form, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, ...
著者Birch, A.M., Kenny, P.W., Oikonomakos, N.G., Otterbein, L., Schofield, P., Whittamore, P.R.O., Whalley, D.P., Rowsell, S., Pauptit, R., Pannifer, A., Breed, J., Minshull, C.
登録日2006-09-19
公開日2006-12-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2IEI
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CRYSTAL STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH 3,4-DIHYDRO-2-QUINOLONE
分子名称:Glycogen phosphorylase, muscle form, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, ...
著者Birch, A.M., Kenny, P.W., Oikonomakos, N.G., Otterbein, L., Schofield, P., Whittamore, P.R.O., Whalley, D.P., Rowsell, S., Pauptit, R., Pannifer, A., Breed, J., Minshull, C.
登録日2006-09-19
公開日2006-12-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3HHA
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CRYSTAL STRUCTURE OF CATHEPSIN L IN COMPLEX WITH AZ12878478
分子名称:Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide, TETRAETHYLENE GLYCOL, ...
著者Asaad, N., Bethel, P.A., Coulson, M.D., Dawson, J., Ford, S.J., Gerhardt, S., Grist, M., Hamlin, G.A., James, M.J., Jones, E.V., Karoutchi, G.I., Kenny, P.W., Morley, A.D., Oldham, K., Rankine, N., Ryan, D., Wells, S.L., Wood, L., Augustin, M., Krapp, S., Simader, H., Steinbacher, S.
登録日2009-05-15
公開日2009-06-23
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Dipeptidyl nitrile inhibitors of Cathepsin L.
Bioorg.Med.Chem.Lett., 19, 2009
4DMX
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CATHEPSIN K INHIBITOR
分子名称:Cathepsin K, (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, GLYCEROL
著者Dossetter, A.G., Beeley, H., Bowyer, J., Cook, C.R., Crawford, J.J., Finlayson, J.E., Heron, N.M., Heyes, C., Highton, A.J., Hudson, J.A., Kenny, P.W., Martin, S., MacFaul, P.A., McGuire, T.M., Gutierrez, P.M., Morley, A.D., Morris, J.J., Page, K.M., Rosenbrier Ribeiro, L., Sawney, H., Steinbacher, S., Krapp, S., Jestel, A., Smith, C., Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4DMY
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CATHEPSIN K INHIBITOR
分子名称:Cathepsin K, (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, SULFATE ION, ...
著者Dossetter, A.G., Beeley, H., Bowyer, J., Cook, C.R., Crawford, J.J., Finlayson, J.E., Heron, N.M., Heyes, C., Highton, A.J., Hudson, J.A., Kenny, P.W., Martin, S., MacFaul, P.A., McGuire, T.M., Gutierrez, P.M., Morley, A.D., Morris, J.J., Page, K.M., Rosenbrier Ribeiro, L., Sawney, H., Steinbacher, S., Krapp, S., Jestel, A., Smith, C., Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
3HWN
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CATHEPSIN L WITH AZ13010160
分子名称:Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide
著者Kenny, P., Morley, A.
登録日2009-06-18
公開日2009-09-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Design of selective Cathepsin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
2GJ4
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STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH LIGAND
分子名称:Glycogen phosphorylase, muscle form, SULFATE ION, ...
著者Otterbein, L.R., Pannifer, A.D., Tucker, J., Breed, J., Oikonomakos, N.G., Rowsell, S., Pauptit, R.A., Claire, M.
登録日2006-03-30
公開日2007-02-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
2GM9
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STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH THIENOPYRROLE
分子名称:Glycogen phosphorylase, muscle form, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, ...
著者Otterbein, L.R., Pannifer, A.D., Tucker, J., Breed, J., Oikonomakos, N.G., Minshull, C., Rowsell, S., Pauptit, R.A.
登録日2006-04-06
公開日2007-02-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
4QH6
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CRYSTAL STRUCTURE OF CRUZAIN WITH NITRILE INHIBITOR N-(2-AMINOETHYL)-NALPHA-BENZOYL-L-PHENYLALANINAMIDE
分子名称:Cruzipain, N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
著者Fernandes, W.B., Montanari, C.A., McKerrow, J.H.
登録日2014-05-27
公開日2015-08-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors.
Plos Negl Trop Dis, 9, 2015