Author results

2W05
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STRUCTURE OF CDK2 IN COMPLEX WITH AN IMIDAZOLYL PYRIMIDINE, COMPOUND 5B
Descriptor:CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
Authors:Anderson, M., Andrews, D.M., Barker, A.J., Brassington, C.A., Breed, J., Byth, K.F., Culshaw, J.D., Finlay, M.R., Fisher, E., Green, C.P., Heaton, D.W., Nash, I.A., Newcombe, N.J., Oakes, S.E., Pauptit, R.A., Roberts, A., Stanway, J.J., Thomas, A.P., Tucker, J.A., Weir, H.M.
Deposit date:2008-08-08
Release date:2008-10-14
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2W06
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STRUCTURE OF CDK2 IN COMPLEX WITH AN IMIDAZOLYL PYRIMIDINE, COMPOUND 5C
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE
Authors:Anderson, M., Andrews, D.M., Barker, A.J., Brassington, C.A., Byth, K.F., Culshaw, J.D., Finlay, M.R.V., Fisher, E., Mcmiken, H.H.J., Green, C.P., Heaton, D.W., Nash, I.A., Newcombe, N.J., Oakes, S.E., Roberts, A., Stanway, J.J., Thomas, A.P., Tucker, J.A., Weir, H.M.
Deposit date:2008-08-08
Release date:2008-09-23
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3ZP8
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HIGH-RESOLUTION FULL-LENGTH HAMMERHEAD RIBOZYME
Descriptor:HAMMERHEAD RIBOZYME, ENZYME STRAND, SUBSTRATE STRAND, ...
Authors:Anderson, M., Schultz, E., Martick, M., Scott, W.G.
Deposit date:2013-02-26
Release date:2013-03-06
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Active-Site Monovalent Cations Revealed in a 1.55 A Resolution Hammerhead Ribozyme Structure
J.Mol.Biol., 425, 2013
2XDE
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CRYSTAL STRUCTURE OF THE COMPLEX OF PF-3450074 WITH AN ENGINEERED HIV CAPSID N TERMINAL DOMAIN
Descriptor:GAG POLYPROTEIN, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
Authors:Brown, D.G., Irving, S.L., Anderson, M., Bazin, R.
Deposit date:2010-04-30
Release date:2010-12-22
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:HIV Capsid is a Tractable Target for Small Molecule Therapeutic Intervention.
Plos Pathog., 6, 2010
2XQB
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CRYSTAL STRUCTURE OF ANTI-IL-15 ANTIBODY IN COMPLEX WITH HUMAN IL-15
Descriptor:INTERLEUKIN 15, ANTI-IL-15 ANTIBODY, SULFATE ION
Authors:Lowe, D.C., Gerhardt, S., Ward, A., Hargreaves, D., Anderson, M., StGallay, S., Vousden, K., Ferraro, F., Pauptit, R.A., Cochrane, D., Pattison, D.V., Buchanan, C., Popovic, B., Finch, D.K., Wilkinson, T., Sleeman, M., Vaughan, T.J., Cruwys, S., Mallinder, P.R.
Deposit date:2010-09-01
Release date:2010-12-29
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering a High Affinity Anti-Il-15 Antibody: Crystal Structure Reveals an Alpha-Helix in Vh Cdr3 as Key Component of Paratope.
J.Mol.Biol., 406, 2011
1PIC
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PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, NMR, MINIMIZED MEAN STRUCTURE
Descriptor:PHOSPHATIDYLINOSITOL 3-KINASE, BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR
Authors:Breeze, A.L., Kara, B.V., Barratt, D.G., Anderson, M., Smith, J.C., Luke, R.W., Best, J.R., Cartlidge, S.A.
Deposit date:1997-06-23
Release date:1997-09-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of a specific peptide complex of the carboxy-terminal SH2 domain from the p85 alpha subunit of phosphatidylinositol 3-kinase.
EMBO J., 15, 1996
2C6D
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AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH ADPNP
Descriptor:SERINE/THREONINE-PROTEIN KINASE 6, GLYCEROL, PHOSPHATE ION, ...
Authors:Pauptit, R.A., Pannifer, A.D., Breed, J., McMiken, H.H.J., Rowsell, S., Anderson, M.
Deposit date:2005-11-09
Release date:2006-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2C6E
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AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH A 5- AMINOPYRIMIDINYL QUINAZOLINE INHIBITOR
Descriptor:SERINE/THREONINE-PROTEIN KINASE 6, N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
Authors:Pauptit, R.A., Pannifer, A.D., Breed, J., McMiken, H.H.J., Rowsell, S., Anderson, M.
Deposit date:2005-11-09
Release date:2006-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2WIU
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MERCURY-MODIFIED BACTERIAL PERSISTENCE REGULATOR HIPBA
Descriptor:PROTEIN HIPA, HTH-TYPE TRANSCRIPTIONAL REGULATOR HIPB, MERCURY (II) ION, ...
Authors:Evdokimov, A., Voznesensky, I., Fennell, K., Anderson, M., Smith, J.F., Fisher, D.A.
Deposit date:2009-05-17
Release date:2009-07-28
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:New Kinase Regulation Mechanism Found in Hipba: A Bacterial Persistence Switch.
Acta Crystallogr.,Sect.D, 65, 2009
3UE8
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KYNURENINE AMINOTRANSFERASE II INHIBITORS
Descriptor:Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial, (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, ...
Authors:Dounay, A.B., Anderson, M., Bechle, B.M., Campbell, B.M., Claffey, M.M., Evdokimov, A., Edelweiss, E., Fonseca, K.R., Gan, X., Ghosh, S., Hayward, M.M., Horner, W., Kim, J.Y., McAllister, L.A., Pandit, J., Paradis, V., Parikh, V.D., Reese, M.R., Rong, S.B., Salafia, M.A., Schuyten, K., Strick, C.A., Tuttle, J.B., Valentine, J., Wang, H., Zawadzke, L.E., Verhoest, P.R.
Deposit date:2011-10-28
Release date:2012-02-01
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.
ACS Med Chem Lett, 3, 2012
4E3Q
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PMP-BOUND FORM OF AMINOTRANSFERASE CRYSTAL STRUCTURE FROM VIBRIO FLUVIALIS
Descriptor:Pyruvate transaminase, SODIUM ION, SULFATE ION, ...
Authors:Midelfort, K.S., Kumar, R., Han, S., Karmilowicz, M.J., McConnell, K., Gehlhaar, D.K., Mistry, A., Chang, J.S., Anderson, M., Vilalobos, A., Minshull, J., Govindarajan, S., Wong, J.W.
Deposit date:2012-03-10
Release date:2012-10-10
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
4E3R
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PLP-BOUND AMINOTRANSFERASE MUTANT CRYSTAL STRUCTURE FROM VIBRIO FLUVIALIS
Descriptor:Pyruvate transaminase, SULFATE ION, SODIUM ION
Authors:Midelfort, K.S., Kumar, R., Han, S., Karmilowicz, M.J., McConnell, K., Gehlhaar, D.K., Mistry, A., Chang, J.S., Anderson, M., Vilalobos, A., Minshull, J., Govindarajan, S., Wong, J.W.
Deposit date:2012-03-10
Release date:2012-10-10
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
4URU
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URV
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, FORMIC ACID, ...
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URW
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URX
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 6-bromo-1H-indole, ...
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URY
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URZ
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 1-[(4-aminophenyl)sulfonyl]piperidin-2-one
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4US0
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, N-ETHYLMALEIMIDE
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4US1
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4US2
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
1OIQ
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IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION
Descriptor:CELL DIVISION PROTEIN KINASE 2, N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE
Authors:Beattie, J.F., Breault, G.A., Byth, K.F., Culshaw, J.D., Ellston, R.P.A., Green, S., Minshull, C.A., Norman, R.A., Pauptit, R.A., Thomas, A.P., Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1OIR
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IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION
Descriptor:CELL DIVISION PROTEIN KINASE 2, 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL
Authors:Beattie, J.F., Breault, G.A., Byth, K.F., Culshaw, J.D., Ellston, R.P.A., Green, S., Minshull, C.A., Norman, R.A., Pauptit, R.A., Thomas, A.P., Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1OIT
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IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE
Authors:Beattie, J.F., Breault, G.A., Byth, K.F., Culshaw, J.D., Ellston, R.P.A., Green, S., Minshull, C.A., Norman, R.A., Pauptit, R.A., Thomas, A.P., Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
3O0U
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CATHEPSIN K COVALENTLY BOUND TO A CYANO-PYRIMIDINE INHIBITOR WITH IMPROVED SELECTIVITY OVER HERG
Descriptor:Cathepsin K, 3-{2-[(E)-iminomethyl]-6-propylpyrimidin-4-yl}-N,N-dimethyl-5-(trifluoromethyl)benzamide
Authors:Fradera, X., van Zeeland, M., Uitdehaag, J.C.M.
Deposit date:2010-07-20
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
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