Author results

4AUA
  • Download 4aua
  • View 4aua
Molmil generated image of 4aua
LIGANDED X-RAY CRYSTAL STRUCTURE OF CYCLIN DEPENDENT KINASE 6 (CDK6)
Descriptor:CYCLIN-DEPENDENT KINASE 6, 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone
Authors:Cho, Y.S., Angove, H., Brain, C., Chen, C.H.T., Cheng, R., Chopra, R., Chung, K., Congreve, M., Dagostin, C., Davis, D., Feltell, R., Giraldes, J., Hiscock, S., Kim, S., Kovats, S., Lagu, B., Lewry, K., Loo, A., Lu, Y., Luzzio, M., Maniara, W., Mcmenamin, R., Mortenson, P., Benning, R., O'Reilly, M., Rees, D., Shen, J., Smith, T., Wang, Y., Williams, G., Woolford, A., Wrona, W., Xu, M., Yang, F., Howard, S.
Deposit date:2012-05-15
Release date:2013-02-06
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
2XAB
  • Download 2xab
  • View 2xab
Molmil generated image of 2xab
STRUCTURE OF HSP90 WITH AN INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA,, 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, m., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., O'Brian, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-03-30
Release date:2010-08-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
2XDK
  • Download 2xdk
  • View 2xdk
Molmil generated image of 2xdk
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-AMINO-4-PYRIDYL-PYRIMIDINE
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-05-04
Release date:2010-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2XDL
  • Download 2xdl
  • View 2xdl
Molmil generated image of 2xdl
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-METHYL-4-DIETHYLAMIDE-PHENOL
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-05-04
Release date:2010-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2XDS
  • Download 2xds
  • View 2xds
Molmil generated image of 2xds
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, DIMETHYL SULFOXIDE, 1-CHLORO-4-METHYLPHTHALAZINE
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-05-07
Release date:2010-09-01
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2XDU
  • Download 2xdu
  • View 2xdu
Molmil generated image of 2xdu
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-05-07
Release date:2010-09-01
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2XDX
  • Download 2xdx
  • View 2xdx
Molmil generated image of 2xdx
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., O'Brien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-05-10
Release date:2010-09-01
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2XHR
  • Download 2xhr
  • View 2xhr
Molmil generated image of 2xhr
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHOLIN-4-YLETHOXY)PHENYL]PYRIMIDIN-2-AMINE
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-06-21
Release date:2010-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2XHT
  • Download 2xht
  • View 2xht
Molmil generated image of 2xht
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, (3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-06-21
Release date:2010-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2XHX
  • Download 2xhx
  • View 2xhx
Molmil generated image of 2xhx
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)PHENOL
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-06-21
Release date:2010-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2XJG
  • Download 2xjg
  • View 2xjg
Molmil generated image of 2xjg
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, B., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-07-06
Release date:2010-08-11
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
2XJJ
  • Download 2xjj
  • View 2xjj
Molmil generated image of 2xjj
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, GLYCEROL, 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-07-06
Release date:2010-08-11
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
2XJX
  • Download 2xjx
  • View 2xjx
Molmil generated image of 2xjx
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-07-06
Release date:2010-08-11
Last modified:2015-02-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
2XK2
  • Download 2xk2
  • View 2xk2
Molmil generated image of 2xk2
STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE
Authors:Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.
Deposit date:2010-07-07
Release date:2010-09-01
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2VIN
  • Download 2vin
  • View 2vin
Molmil generated image of 2vin
FRAGMENT-BASED DISCOVERY OF MEXILETINE DERIVATIVES AS ORALLY BIOAVAILABLE INHIBITORS OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B, ACETATE ION, SULFATE ION, ...
Authors:Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
2VIO
  • Download 2vio
  • View 2vio
Molmil generated image of 2vio
FRAGMENT-BASED DISCOVERY OF MEXILETINE DERIVATIVES AS ORALLY BIOAVAILABLE INHIBITORS OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B, ACETATE ION, 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid
Authors:Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
2VIP
  • Download 2vip
  • View 2vip
Molmil generated image of 2vip
FRAGMENT-BASED DISCOVERY OF MEXILETINE DERIVATIVES AS ORALLY BIOAVAILABLE INHIBITORS OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B, ACETATE ION, SULFATE ION, ...
Authors:Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
2VIQ
  • Download 2viq
  • View 2viq
Molmil generated image of 2viq
FRAGMENT-BASED DISCOVERY OF MEXILETINE DERIVATIVES AS ORALLY BIOAVAILABLE INHIBITORS OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B, ACETATE ION, 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
Authors:Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator.
J.Med.Chem., 51, 2008
2VIV
  • Download 2viv
  • View 2viv
Molmil generated image of 2viv
FRAGMENT-BASED DISCOVERY OF MEXILETINE DERIVATIVES AS ORALLY BIOAVAILABLE INHIBITORS OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B, ACETATE ION, 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
Authors:Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator.
J.Med.Chem., 51, 2008
2VIW
  • Download 2viw
  • View 2viw
Molmil generated image of 2viw
FRAGMENT-BASED DISCOVERY OF MEXILETINE DERIVATIVES AS ORALLY BIOAVAILABLE INHIBITORS OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B, ACETATE ION, 4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
Authors:Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator.
J.Med.Chem., 51, 2008
4D2P
  • Download 4d2p
  • View 4d2p
Molmil generated image of 4d2p
STRUCTURE OF MELK IN COMPLEX WITH INHIBITORS
Descriptor:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium
Authors:Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.
Deposit date:2014-05-12
Release date:2014-10-08
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4D2T
  • Download 4d2t
  • View 4d2t
Molmil generated image of 4d2t
STRUCTURE OF MELK IN COMPLEX WITH INHIBITORS
Descriptor:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium
Authors:Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.
Deposit date:2014-05-13
Release date:2014-10-15
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4D2V
  • Download 4d2v
  • View 4d2v
Molmil generated image of 4d2v
STRUCTURE OF MELK IN COMPLEX WITH INHIBITORS
Descriptor:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium
Authors:Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.
Deposit date:2014-05-13
Release date:2014-10-15
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4D2W
  • Download 4d2w
  • View 4d2w
Molmil generated image of 4d2w
STRUCTURE OF MELK IN COMPLEX WITH INHIBITORS
Descriptor:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
Authors:Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.
Deposit date:2014-05-13
Release date:2014-10-08
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UMP
  • Download 4ump
  • View 4ump
Molmil generated image of 4ump
STRUCTURE OF MELK IN COMPLEX WITH INHIBITORS
Descriptor:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, 3-(isoquinolin-7-yl)prop-2-yn-1-ol
Authors:Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
<12>