Author results

6G8B
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E. COLI AMINOPEPTIDASE N SOLVED BY NATIVE SAD FROM A DATASET COLLECTED IN 60 SECOND WITH JUNGFRAU DETECTOR
Descriptor:Aminopeptidase N, ZINC ION, SODIUM ION, ...
Authors:Leonarski, F., Olieric, V., Redford, S., Wang, M.
Deposit date:2018-04-08
Release date:2018-08-01
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.374 Å)
Cite:Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector.
Nat. Methods, 15, 2018
6G8A
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LYSOZYME SOLVED BY NATIVE SAD FROM A DATASET COLLECTED IN 5 SECONDS AT 1 A WAVELENGTH WITH JUNGFRAU DETECTOR
Descriptor:Lysozyme C, CHLORIDE ION, SODIUM ION, ...
Authors:Leonarski, F., Olieric, V., Vera, L., Redford, S., Wang, M.
Deposit date:2018-04-08
Release date:2018-08-01
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.143 Å)
Cite:Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector.
Nat. Methods, 15, 2018
6G89
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THAUMATIN SOLVED BY NATIVE SAD FROM A DATASET COLLECTED IN 0.6 SECOND WITH JUNGFRAU DETECTOR
Descriptor:Thaumatin I, L(+)-TARTARIC ACID
Authors:Leonarski, F., Olieric, V., Vera, L., Redford, S., Wang, M.
Deposit date:2018-04-08
Release date:2018-08-01
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.359 Å)
Cite:Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector.
Nat. Methods, 15, 2018
5IDP
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CDK8-CYCC IN COMPLEX WITH (3-AMINO-1H-INDAZOL-5-YL)-[(S)-2-(4-FLUORO-PHENYL)-PIPERIDIN-1-YL]-METHANONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone, ...
Authors:Musil, D., Blagg, J., Mallinger, A., Czodrowski, P., Schiemann, K.
Deposit date:2016-02-24
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
5IDN
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CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-CHLORO-PHENYL)-PYRROLIDIN-1-YL]-(3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)-METHANONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone, ...
Authors:Musil, D., Blagg, J., Mallinger, A., Czodrowski, P., Schiemann, K.
Deposit date:2016-02-24
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
5ICP
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CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-CHLORO-PHENYL)-PYRROLIDIN-1-YL]-(5-METHYL-IMIDAZO[5,1-B][1,3,4]THIADIAZOL-2-YL)-METHANONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone, ...
Authors:Musil, D., Blagg, J., Mallinger, A., Czodrowski, P., Schiemann, K.
Deposit date:2016-02-23
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
5I5Z
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CDK8-CYCC IN COMPLEX WITH 8-(1-METHYL-2,2-DIOXO-2,3-DIHYDRO-1H-2L6-BENZO[C]ISOTHIAZOL-5-YL)-[1,6]NAPHTHYRIDINE-2-CARBOXYLIC ACID METHYLAMIDE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, N-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1H-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide, ...
Authors:Musil, D., Blagg, J., Mallinger, A.
Deposit date:2016-02-15
Release date:2016-04-13
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.
Acs Med.Chem.Lett., 7, 2016
5HBJ
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CDK8-CYCC IN COMPLEX WITH 8-[2-AMINO-3-CHLORO-5-(1-METHYL-1H-INDAZOL-5-YL)-PYRIDIN-4-YL]-2,8-DIAZA-SPIRO[4.5]DECAN-1-ONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, ...
Authors:Musil, D., Blagg, J., Mallinger, A.
Deposit date:2015-12-31
Release date:2016-02-03
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5HBH
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CDK8-CYCC IN COMPLEX WITH 5-{5-CHLORO-4-[1-(2-METHOXY-ETHYL)-1,8-DIAZA-SPIRO[4.5]DEC-8-YL]-PYRIDIN-3-YL}-1-METHYL-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE 2,2-DIOXIDE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, ...
Authors:Musil, D., Blagg, J., Mallinger, A.
Deposit date:2015-12-31
Release date:2016-02-03
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5HBE
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CDK8-CYCC IN COMPLEX WITH 8-[3-CHLORO-5-(1-METHYL-2,2-DIOXO-2, 3-DIHYDRO-1H-2L6-BENZO[C]ISOTHIAZOL-5-YL)-PYRIDIN- 4-YL]-1-OXA-3,8-DIAZA-SPIRO[4.5]DECAN-2-ONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, ...
Authors:Musil, D., Blagg, J., Mallinger, A.
Deposit date:2015-12-31
Release date:2016-02-03
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5FGK
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CDK8-CYCC IN COMPLEX WITH 8-[3-(3-AMINO-1H-INDAZOL-6-YL)-5-CHLORO- PYRIDINE-4-YL]-2,8-DIAZA-SPIRO[4.5]DECAN-1-ONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, ...
Authors:Musil, D., Blagg, J., Mallinger, A.
Deposit date:2015-12-20
Release date:2016-02-03
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5BNJ
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CDK8/CYCC IN COMPLEX WITH 8-{3-CHLORO-5-[4-(1-METHYL-1H-PYRAZOL-4-YL)-PHENYL]-PYRIDIN- 4-YL}-2,8-DIAZA-SPIRO[4.5]DECAN-1-ONE
Descriptor:Cyclin-dependent kinase 8, Cyclin-C, 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, ...
Authors:Musil, D., Blagg, J., Wienke, D.
Deposit date:2015-05-26
Release date:2015-10-14
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat.Chem.Biol., 11, 2015
4HEO
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HENDRA VIRUS PHOSPHOPROTEIN C TERMINAL DOMAIN
Descriptor:Phosphoprotein, CHLORIDE ION, MAGNESIUM ION
Authors:Yabukarski, F., Tarbouriech, N., Jamin, M.
Deposit date:2012-10-04
Release date:2013-10-09
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Atomic Resolution Description of the Interaction between the Nucleoprotein and Phosphoprotein of Hendra Virus.
Plos Pathog., 9, 2013
3ZFU
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CRYSTAL STRUCTURE OF SUBSTRATE-LIKE, UNPROCESSED N-TERMINAL PROTEASE NPRO MUTANT S169P WITH SULPHATE
Descriptor:N-TERMINAL PROTEASE NPRO, MONOTHIOGLYCEROL, SULFATE ION
Authors:Zogg, T., Sponring, M., Schindler, S., Koll, M., Schneider, R., Brandstetter, H., Auer, B.
Deposit date:2012-12-12
Release date:2013-05-15
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis
Structure, 21, 2013
3ZFT
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CRYSTAL STRUCTURE OF PRODUCT-LIKE, PROCESSED N-TERMINAL PROTEASE NPRO AT PH 3
Descriptor:N-TERMINAL PROTEASE NPRO, MONOTHIOGLYCEROL, CHLORIDE ION
Authors:Zogg, T., Sponring, M., Schindler, S., Koll, M., Schneider, R., Brandstetter, H., Auer, B.
Deposit date:2012-12-12
Release date:2013-05-15
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis
Structure, 21, 2013
3ZFR
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CRYSTAL STRUCTURE OF PRODUCT-LIKE, PROCESSED N-TERMINAL PROTEASE NPRO WITH IRIDIUM
Descriptor:N-TERMINAL PROTEASE NPRO, MONOTHIOGLYCEROL, HYDROXIDE ION, ...
Authors:Zogg, T., Sponring, M., Schindler, S., Koll, M., Schneider, R., Brandstetter, H., Auer, B.
Deposit date:2012-12-12
Release date:2013-05-15
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis
Structure, 21, 2013
3ZFQ
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CRYSTAL STRUCTURE OF PRODUCT-LIKE, PROCESSED N-TERMINAL PROTEASE NPRO WITH MERCURY
Descriptor:N-TERMINAL PROTEASE NPRO, MONOTHIOGLYCEROL, MERCURY (II) ION
Authors:Zogg, T., Sponring, M., Schindler, S., Koll, M., Schneider, R., Brandstetter, H., Auer, B.
Deposit date:2012-12-12
Release date:2013-05-15
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis
Structure, 21, 2013
3ZFP
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CRYSTAL STRUCTURE OF PRODUCT-LIKE, PROCESSED N-TERMINAL PROTEASE NPRO WITH INTERNAL HIS-TAG
Descriptor:N-TERMINAL PROTEASE NPRO, MONOTHIOGLYCEROL, CHLORIDE ION
Authors:Zogg, T., Sponring, M., Schindler, S., Koll, M., Schneider, R., Brandstetter, H., Auer, B.
Deposit date:2012-12-12
Release date:2013-05-15
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis
Structure, 21, 2013
3ZFO
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CRYSTAL STRUCTURE OF SUBSTRATE-LIKE, UNPROCESSED N-TERMINAL PROTEASE NPRO MUTANT S169P
Descriptor:N-TERMINAL PROTEASE NPRO, MONOTHIOGLYCEROL, CHLORIDE ION, ...
Authors:Zogg, T., Sponring, M., Schindler, S., Koll, M., Schneider, R., Brandstetter, H., Auer, B.
Deposit date:2012-12-12
Release date:2013-05-15
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis
Structure, 21, 2013
3ZFN
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CRYSTAL STRUCTURE OF PRODUCT-LIKE, PROCESSED N-TERMINAL PROTEASE NPRO
Descriptor:N-TERMINAL PROTEASE NPRO, MONOTHIOGLYCEROL, CHLORIDE ION
Authors:Zogg, T., Sponring, M., Schindler, S., Koll, M., Schneider, R., Brandstetter, H., Auer, B.
Deposit date:2012-12-12
Release date:2013-05-15
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis
Structure, 21, 2013
3TZ9
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KINASE DOMAIN OF CSRC IN COMPLEX WITH RL130
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea
Authors:Gruetter, C., Richters, A., Rauh, D.
Deposit date:2011-09-27
Release date:2012-10-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design
To be Published
3TZ8
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KINASE DOMAIN OF CSRC IN COMPLEX WITH RL104
Descriptor:Proto-oncogene tyrosine-protein kinase Src, N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide
Authors:Gruetter, C., Richters, A., Rauh, D.
Deposit date:2011-09-27
Release date:2012-10-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design
To be Published
3TZ7
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KINASE DOMAIN OF CSRC IN COMPLEX WITH RL103
Descriptor:Proto-oncogene tyrosine-protein kinase Src, N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide
Authors:Gruetter, C., Richters, A., Rauh, D.
Deposit date:2011-09-27
Release date:2012-10-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design
To be Published
3L8S
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HUMAN P38 MAP KINASE IN COMPLEX WITH CP-547632
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide
Authors:Gruetter, C., Simard, J.R., Rauh, D.
Deposit date:2010-01-03
Release date:2010-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
3HUC
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HUMAN P38 MAP KINASE IN COMPLEX WITH RL40
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, ...
Authors:Gruetter, C., Simard, J.R., Getlik, M., Rauh, D.
Deposit date:2009-06-13
Release date:2010-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
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