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5ARF
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SMYD2 IN COMPLEX WITH SMALL MOLECULE INHIBITOR COMPOUND-2
Descriptor:N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ...
Authors:Hillig, R.C., Badock, V., Barak, N., Stellfeld, T., Eggert, E., ter Laak, A., Weiske, J., Christ, C.D., Koehr, S., Stoeckigt, D., Mowat, J., Mueller, T., Fernandez-Montalvan, A.E., Hartung, I.V., Stresemann, C., Brumby, T., Weinmann, H.
Deposit date:2015-09-24
Release date:2016-04-27
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
5ARG
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SMYD2 IN COMPLEX WITH SGC PROBE BAY-598
Descriptor:N-LYSINE METHYLTRANSFERASE SMYD2, ZINC ION, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ...
Authors:Hillig, R.C., Badock, V., Barak, N., Stellfeld, T., Eggert, E., ter Laak, A., Weiske, J., Christ, C.D., Koehr, S., Stoeckigt, D., Mowat, J., Mueller, T., Fernandez-Montalvan, A.E., Hartung, I.V., Stresemann, C., Brumby, T., Weinmann, H.
Deposit date:2015-09-24
Release date:2016-04-27
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
5N49
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BRPF2 IN COMPLEX WITH COMPOUND 7
Descriptor:Bromodomain-containing protein 1, 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
Authors:Bouche, L., Christ, C.D., Siegel, S., Fernandez-Montalvan, A.E., Holton, S.J., Fedorov, O., ter Laak, A., Sugawara, T., Stoeckigt, D., Tallant, C., Bennett, J., Monteiro, O., Saez, L.D., Siejka, P., Meier, J., Puetter, V., Weiske, J., Mueller, S., Huber, K.V.M., Hartung, I.V., Haendler, B.
Deposit date:2017-02-10
Release date:2017-05-03
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
5MG2
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN TAF1 IN COMPLEX WITH BAY-299 CHEMICAL PROBE
Descriptor:Transcription initiation factor TFIID subunit 1, 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
Authors:Tallant, C., Bouche, L., Holton, S.J., Fedorov, O., Siejka, P., Picaud, S., Krojer, T., Srikannathasan, V., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hartung, I.V., Haendler, B., Muller, S., Huber, K.V.M., Structural Genomics Consortium (SGC)
Deposit date:2016-11-20
Release date:2017-05-03
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
6G33
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CRYSTAL STRUCTURE OF CLK1 IN COMPLEX WITH 5-IODOTUBERCIDIN
Descriptor:Dual specificity protein kinase CLK1, (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, IODIDE ION, ...
Authors:Heroven, C., Chaikuad, A., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2018-03-24
Release date:2018-04-18
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
6G34
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CRYSTAL STRUCTURE OF HASPIN IN COMPLEX WITH 5-IODOTUBERCIDIN
Descriptor:Serine/threonine-protein kinase haspin, (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, IODIDE ION, ...
Authors:Heroven, C., Chaikuad, A., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2018-03-24
Release date:2018-04-18
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
6G35
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CRYSTAL STRUCTURE OF HASPIN IN COMPLEX WITH 5-BROMOTUBERCIDIN
Descriptor:Serine/threonine-protein kinase haspin, SODIUM ION, 5-bromotubercidin, ...
Authors:Heroven, C., Chaikuad, A., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2018-03-24
Release date:2018-04-18
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
6G36
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CRYSTAL STRUCTURE OF HASPIN IN COMPLEX WITH 5-CHLOROTUBERCIDIN
Descriptor:Serine/threonine-protein kinase haspin, 5-chlorotubercidin, GLYCEROL, ...
Authors:Heroven, C., Chaikuad, A., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2018-03-24
Release date:2018-04-18
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
6G37
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CRYSTAL STRUCTURE OF HASPIN IN COMPLEX WITH 5-FLUOROTUBERCIDIN
Descriptor:Serine/threonine-protein kinase haspin, PHOSPHATE ION, 5-fluorotubercidin
Authors:Heroven, C., Chaikuad, A., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2018-03-24
Release date:2018-04-18
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
6G38
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CRYSTAL STRUCTURE OF HASPIN IN COMPLEX WITH TUBERCIDIN
Descriptor:Serine/threonine-protein kinase haspin, '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, DIMETHYL SULFOXIDE, ...
Authors:Heroven, C., Chaikuad, A., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2018-03-24
Release date:2018-04-18
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
6G39
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CRYSTAL STRUCTURE OF HASPIN F605Y MUTANT IN COMPLEX WITH 5-IODOTUBERCIDIN
Descriptor:Serine/threonine-protein kinase haspin, SODIUM ION, (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, ...
Authors:Heroven, C., Chaikuad, A., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2018-03-24
Release date:2018-04-18
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
6G3A
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CRYSTAL STRUCTURE OF HASPIN F605T MUTANT IN COMPLEX WITH 5-IODOTUBERCIDIN
Descriptor:Serine/threonine-protein kinase haspin, IODIDE ION, (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, ...
Authors:Heroven, C., Chaikuad, A., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2018-03-24
Release date:2018-04-18
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018