Author results

3BV9
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STRUCTURE OF THROMBIN BOUND TO THE INHIBITOR FM19
Descriptor:Thrombin light chain, Thrombin heavy chain, FM19 inhibitor, ...
Authors:Nieman, M.T., Burke, F., Warnock, M., Zhou, Y., Sweigert, J., Chen, A., Ricketts, D., Lucchesi, B.R., Chen, Z., Di Cera, E., Hilfinger, J., Mosberg, H.I., Schmaier, A.H.
Deposit date:2008-01-05
Release date:2008-03-04
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Thrombostatin FM compounds: direct thrombin inhibitors - mechanism of action in vitro and in vivo.
J.Thromb.Haemost., 6, 2008
5WZZ
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THE SIAH E3 UBIQUITIN LIGASES PROMOTE WNT/ BETA-CATENIN SIGNALING THROUGH MEDIATING WNT-INDUCED AXIN DEGRADATION
Descriptor:E3 ubiquitin-protein ligase SIAH1, Axin-1, ZINC ION
Authors:Ji, L., Jiang, B., Jiang, X., Charlat, O., Chen, A., Mickanin, C., Bauer, A., Xu, W., Yan, X.-X., Cong, F.
Deposit date:2017-01-19
Release date:2017-08-16
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation
Genes Dev., 31, 2017
1LVC
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CRYSTAL STRUCTURE OF THE ADENYLYL CYCLASE DOMAIN OF ANTHRAX EDEMA FACTOR (EF) IN COMPLEX WITH CALMODULIN AND 2' DEOXY, 3' ANTHRANILOYL ATP
Descriptor:calmodulin-sensitive adenylate cyclase, calmodulin, YTTERBIUM (III) ION, ...
Authors:Shen, Y., Lee, Y.-S., Soelaiman, S., Bergson, P., Lu, D., Chen, A., Beckingham, K., Grabarek, Z., Mrksich, M., Tang, W.-J.
Deposit date:2002-05-28
Release date:2002-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Physiological calcium concentrations regulate calmodulin binding and catalysis of adenylyl cyclase exotoxins
Embo J., 21, 2002
5VP7
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CRYSTAL STRUCTURE OF HUMAN KRAS G12A MUTANT IN COMPLEX WITH GDP
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, S., Long, B., Boris, G., Chen, A., Ni, S., Kennedy, M.A.
Deposit date:2017-05-04
Release date:2017-12-06
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
4TTH
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CRYSTAL STRUCTURE OF A CDK6/VCYCLIN COMPLEX WITH INHIBITOR BOUND
Descriptor:Cyclin homolog, Cyclin-dependent kinase 6, 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine
Authors:Piper, D.E., Walker, N., Wang, Z.
Deposit date:2014-06-20
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
4OAS
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CO-CRYSTAL STRUCTURE OF MDM2 (17-111) IN COMPLEX WITH COMPOUND 25
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid, SULFATE ION
Authors:Huang, X.
Deposit date:2014-01-06
Release date:2014-02-19
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development.
J.Med.Chem., 57, 2014
4QOC
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CRYSTAL STRUCTURE OF COMPOUND 16 BOUND TO MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor:E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2015-05-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
3CCN
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X-RAY STRUCTURE OF C-MET WITH TRIAZOLOPYRIDAZINE INHIBITOR.
Descriptor:Hepatocyte growth factor receptor, 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
Authors:Abrecht, B.K., Harmange, J.-C., Bauer, D., Dussault, I., long, A., Bellon, S.F.
Deposit date:2008-02-26
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
3CD8
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X-RAY STRUCTURE OF C-MET WITH TRIAZOLOPYRIDAZINE INHIBITOR.
Descriptor:Hepatocyte growth factor receptor, 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
Authors:Bellon, S.F., Albrecht, B.K., Harmange, J.-C., Bauer, D., Choquette, D., Dussault, I.
Deposit date:2008-02-26
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
3NAY
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PDK1 IN COMPLEX WITH INHIBITOR MP6
Descriptor:3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one
Authors:Yan, Y., Munshi, S.K., Allison, T.
Deposit date:2010-06-02
Release date:2010-11-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines
J.Biol.Chem., 2010
2H43
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CRYSTAL STRUCTURE OF HUMAN FRAGMENT D COMPLEXED WITH ALA-HIS-ARG-PRO-AMIDE
Descriptor:Fibrinogen alpha chain, Fibrinogen beta chain, Fibrinogen gamma chain, ...
Authors:Doolittle, R.F., Pandi, L.
Deposit date:2006-05-23
Release date:2006-12-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Differences in Binding Specificity for the Homologous gamma- and beta-Chain "Holes" on Fibrinogen: Exclusive Binding of Ala-His-Arg-Pro-amide by the beta-Chain Hole.
Biochemistry, 45, 2006
2HLO
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CRYSTAL STRUCTURE OF FRAGMENT D-DIMER FROM HUMAN FIBRIN COMPLEXED WITH GLY-HYDROXYPRO-ARG-PRO-AMIDE
Descriptor:Fibrin alpha chain, Fibrin beta chain, Fibrin, ...
Authors:Doolittle, R.F., Kollman, J.M., Chen, A., Pandi, L.
Deposit date:2006-07-08
Release date:2007-07-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:

2HOD
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CRYSTAL STRUCTURE OF FRAGMENT D FROM HUMAN FIBRINOGEN COMPLEXED WITH GLY-HYDROXYPRO-ARG-PRO-AMIDE
Descriptor:Fibrinogen alpha chain, Fibrinogen beta chain, Fibrinogen, ...
Authors:Doolittle, R.F., Kollman, J.M., Chen, A., Pandi, L.
Deposit date:2006-07-14
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:

2HPC
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CRYSTAL STRUCTURE OF FRAGMENT D FROM HUMAN FIBRINOGEN COMPLEXED WITH GLY-PRO-ARG-PRO-AMIDE.
Descriptor:Fibrinogen alpha chain, Fibrinogen beta chain, Fibrinogen, ...
Authors:Doolittle, R.F., Kollman, J.M., Chen, A., Pandi, L.
Deposit date:2006-07-17
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:

3I5N
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CRYSTAL STRUCTURE OF C-MET WITH TRIAZOLOPYRIDAZINE INHIBITOR 13
Descriptor:Hepatocyte growth factor receptor, 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
Authors:Bellon, S.F., Whittington, D.A., Long, A.M., Boezio, A.A.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
4ERE
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CRYSTAL STRUCTURE OF MDM2 (17-111) IN COMPLEX WITH COMPOUND 23
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid, SULFATE ION
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4ERF
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CRYSTAL STRUCTURE OF MDM2 (17-111) IN COMPLEX WITH COMPOUND 29 (AM-8553)
Descriptor:E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4JV7
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR (2S,5R,6S)-2-BENZYL-5,6-BIS(4-BROMOPHENYL)-4-METHYLMORPHOLIN-3-ONE
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one, SULFATE ION
Authors:Huang, X., Gonzalez-Lopez de Turiso, F., Sun, D., Yosup, R., Bartberger, M.D., Beck, H.P., Cannon, J., Shaffer, P., Oliner, J.D., Olson, S.H., Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JV9
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR (2S,5R,6S)-2-BENZYL-5,6-BIS(4-CHLOROPHENYL)-4-METHYLMORPHOLIN-3-ONE
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one, SULFATE ION
Authors:Huang, X., Gonzalez-Lopez de Turiso, F., Sun, D., Yosup, R., Bartberger, M.D., Beck, H.P., Cannon, J., Shaffer, P., Oliner, J.D., Olson, S.H., Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JVE
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR (2R,3E)-2-[(2S,3R,6S)-2,3-BIS(4-CHLOROPHENYL)-6-(4-FLUOROBENZYL)-5-OXOMORPHOLIN-4-YL]PENT-3-ENOIC ACID
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
Authors:Huang, X., Gonzalez-Lopez de Turiso, F., Sun, D., Yosup, R., Bartberger, M.D., Beck, H.P., Cannon, J., Shaffer, P., Oliner, J.D., Olson, S.H., Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JVR
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR (2'S,3R,4'S,5'R)-N-(2-AMINOETHYL)-6-CHLORO-4'-(3-CHLORO-2-FLUOROPHENYL)-2'-(2,2-DIMETHYLPROPYL)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3'-PYRROLIDINE]-5'-CARBOXAMIDE
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
Authors:Huang, X., Gonzalez-Lopez de Turiso, F., Sun, D., Yosup, R., Bartberger, M.D., Beck, H.P., Cannon, J., Shaffer, P., Oliner, J.D., Olson, S.H., Medina, J.C.
Deposit date:2013-03-26
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JWR
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR {(2S,5R,6S)-6-(3-CHLOROPHENYL)-5-(4-CHLOROPHENYL)-4-[(2S)-1-HYDROXYBUTAN-2-YL]-3-OXOMORPHOLIN-2-YL}ACETIC ACID
Descriptor:E3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
Authors:Shaffer, P.L.
Deposit date:2013-03-27
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4OBA
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR COMPOUND 4
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-07
Release date:2014-03-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OCC
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CO-CRYSTAL STRUCTURE OF MDM2(17-111) IN COMPLEX WITH COMPOUND 48
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Authors:Huang, X.
Deposit date:2014-01-08
Release date:2014-04-02
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4ODE
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR COMPOUND 4
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, SULFATE ION
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-10
Release date:2014-04-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
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