3BV9 | | 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
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5WZZ | | 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
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1LVC | | 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
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5VP7 | | 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
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4TTH | | 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
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4OAS | | 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
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4QOC | |
3CCN | | 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
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3CD8 | | 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
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3NAY | | 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
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2H43 | |
2HLO | | 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: |
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2HOD | | 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: |
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2HPC | | 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: |
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3I5N | | 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
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4ERE | | 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
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4ERF | | 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
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4JV7 | | 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
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4JV9 | | 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
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4JVE | | 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
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4JVR | | 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
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4JWR | |
4OBA | | 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
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4OCC | | 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
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4ODE | | 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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