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1OSV
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STRUCTURAL BASIS FOR BILE ACID BINDING AND ACTIVATION OF THE NUCLEAR RECEPTOR FXR
Descriptor:Bile acid receptor, Nuclear receptor coactivator 2, 6-ETHYL-CHENODEOXYCHOLIC ACID
Authors:Mi, L.Z., Devarakonda, S., Harp, J.M., Han, Q., Pellicciari, R., Willson, T.M., Khorasanizadeh, S., Rastinejad, F.
Deposit date:2003-03-20
Release date:2004-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR
Mol.Cell, 11, 2003
1OT7
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STRUCTURAL BASIS FOR 3-DEOXY-CDCA BINDING AND ACTIVATION OF FXR
Descriptor:Bile Acid Receptor, dodecamer peptide fragment of RPGR-interacting protein 1, 6-ETHYL-CHENODEOXYCHOLIC ACID, ...
Authors:Mi, L.Z., Devarakonda, S., Harp, J.M., Han, Q., Pellicciari, R., Willson, T.M., Khorasanizadeh, S., Rastinejad, F.
Deposit date:2003-03-21
Release date:2004-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR
Mol.Cell, 11, 2003
3GOY
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CRYSTAL STRUCTURE OF HUMAN POLY(ADP-RIBOSE) POLYMERASE 14, CATALYTIC FRAGMENT IN COMPLEX WITH AN INHIBITOR 3-AMINOBENZAMIDE
Descriptor:Poly [ADP-ribose] polymerase 14, 3-aminobenzamide
Authors:Karlberg, T., Moche, M., Lehtio, L., Arrowsmith, C.H., Berglund, H., Bountra, C., Collins, R., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Johansson, A., Johansson, I., Kotenyova, T., Nordlund, P., Nyman, T., Persson, C., Sagemark, J., Schutz, P., Siponen, M.I., Thorsell, A.G., Tresaugues, L., Van Den Berg, S., Weigelt, J., Welin, M., Wisniewska, M., Schuler, H., Structural Genomics Consortium (SGC)
Deposit date:2009-03-20
Release date:2009-04-14
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
3MHJ
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HUMAN TANKYRASE 2 - CATALYTIC PARP DOMAIN IN COMPLEX WITH 1-METHYL-3-(TRIFLUOROMETHYL)-5H-BENZO[C][1,8]NAPHTYRIDINE-6-ONE
Descriptor:Tankyrase-2, ZINC ION, 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one, ...
Authors:Karlberg, T., Schutz, P., Arrowsmith, C.H., Berglund, H., Bountra, C., Collins, R., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Johansson, I., Kotenyova, T., Markova, N., Moche, M., Nordlund, P., Nyman, T., Persson, C., Siponen, M.I., Svensson, L., Thorsell, A.G., Tresaugues, L., Van Den Berg, S., Weigelt, J., Welin, M., Wisniewska, M., Schuler, H., Structural Genomics Consortium (SGC)
Deposit date:2010-04-08
Release date:2010-05-05
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
3MHK
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HUMAN TANKYRASE 2 - CATALYTIC PARP DOMAIN IN COMPLEX WITH 2-(2-PYRIDYL)-7,8-DIHYDRO-5H-THIINO[4,3-D]PYRIMIDIN-4-OL
Descriptor:Tankyrase-2, ZINC ION, 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, ...
Authors:Karlberg, T., Schutz, P., Arrowsmith, C.H., Berglund, H., Bountra, C., Collins, R., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Johansson, I., Kotenyova, T., Markova, N., Moche, M., Nordlund, P., Nyman, T., Persson, C., Siponen, M.I., Svensson, L., Thorsell, A.G., Tresaugues, L., Van Den Berg, S., Weigelt, J., Welin, M., Wisniewska, M., Schuler, H., Structural Genomics Consortium (SGC)
Deposit date:2010-04-08
Release date:2010-05-05
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
3P0N
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HUMAN TANKYRASE 2 - CATALYTIC PARP DOMAIN IN COMPLEX WITH AN INHIBITOR
Descriptor:Tankyrase-2, ZINC ION, 7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one, ...
Authors:Karlberg, T., Siponen, M.I., Arrowsmith, C.H., Berglund, H., Bountra, C., Collins, R., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Johansson, I., Kotenyova, T., Kouznetsova, E., Moche, M., Nordlund, P., Nyman, T., Persson, C., Schutz, P., Sehic, A., Thorsell, A.G., Tresaugues, L., Van Den Berg, S., Wahlberg, E., Weigelt, J., Welin, M., Schuler, H., Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-10-20
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
3P0P
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HUMAN TANKYRASE 2 - CATALYTIC PARP DOMAIN IN COMPLEX WITH AN INHIBITOR
Descriptor:Tankyrase-2, ZINC ION, 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one, ...
Authors:Karlberg, T., Siponen, M.I., Arrowsmith, C.H., Berglund, H., Bountra, C., Collins, R., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Johansson, I., Kotenyova, T., Kouznetsova, E., Moche, M., Nordlund, P., Nyman, T., Persson, C., Schutz, P., Sehic, A., Thorsell, A.G., Tresaugues, L., Van Den Berg, S., Wahlberg, E., Weigelt, J., Welin, M., Schuler, H., Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-10-20
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
3P0Q
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HUMAN TANKYRASE 2 - CATALYTIC PARP DOMAIN IN COMPLEX WITH AN INHIBITOR
Descriptor:Tankyrase-2, ZINC ION, N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine, ...
Authors:Karlberg, T., Siponen, M.I., Arrowsmith, C.H., Berglund, H., Bountra, C., Collins, R., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Johansson, I., Kotenyova, T., Kouznetsova, E., Moche, M., Nordlund, P., Nyman, T., Persson, C., Schutz, P., Sehic, A., Thorsell, A.G., Tresaugues, L., Van Den Berg, S., Wahlberg, E., Weigelt, J., Welin, M., Schuler, H., Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-10-20
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
3SE2
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HUMAN POLY(ADP-RIBOSE) POLYMERASE 14 (PARP14/ARTD8) - CATALYTIC DOMAIN IN COMPLEX WITH 6(5H)-PHENANTHRIDINONE
Descriptor:Poly [ADP-ribose] polymerase 14, phenanthridin-6(5H)-one, GLYCEROL, ...
Authors:Karlberg, T., Schutz, P., Arrowsmith, C.H., Berglund, H., Bountra, C., Collins, R., Edwards, A.M., Ekblad, T., Graslund, S., Kouznetsova, E., Moche, M., Nordlund, P., Nyman, T., Thorsell, A.G., Tresaugues, L., Weigelt, J., Siponen, M.I., Schuler, H., Structural Genomics Consortium (SGC)
Deposit date:2011-06-10
Release date:2011-07-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
3SMI
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HUMAN POLY(ADP-RIBOSE) POLYMERASE 14 (PARP14/ARTD8) - CATALYTIC DOMAIN IN COMPLEX WITH A QUINAZOLINE INHIBITOR
Descriptor:Poly [ADP-ribose] polymerase 14, 2-{[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one
Authors:Karlberg, T., Moche, M., Arrowsmith, C.H., Berglund, H., Bountra, C., Edwards, A.M., Ekblad, T., Graslund, S., Kouznetsova, E., Nordlund, P., Nyman, T., Thorsell, A.G., Tresaugues, L., Weigelt, J., Schuler, H., Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-07-20
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
3SMJ
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HUMAN POLY(ADP-RIBOSE) POLYMERASE 14 (PARP14/ARTD8) - CATALYTIC DOMAIN IN COMPLEX WITH A PYRIMIDINE-LIKE INHIBITOR
Descriptor:Poly [ADP-ribose] polymerase 14, 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, GLYCEROL
Authors:Karlberg, T., Moche, M., Arrowsmith, C.H., Berglund, H., Bountra, C., Edwards, A.M., Ekblad, T., Graslund, S., Kouznetsova, E., Nordlund, P., Nyman, T., Thorsell, A.G., Tresaugues, L., Weigelt, J., Schuler, H., Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-07-20
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
4M7B
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HUMAN TANKYRASE 2 - CATALYTIC PARP DOMAIN IN COMPLEX WITH AN INHIBITOR UPF1854
Descriptor:Tankyrase-2, ZINC ION, 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol, ...
Authors:Karlberg, T., Camaioni, E., Schuler, H.
Deposit date:2013-08-12
Release date:2014-03-12
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, Synthesis, Crystallographic Studies, and Preliminary Biological Appraisal of New Substituted Triazolo[4,3-b]pyridazin-8-amine Derivatives as Tankyrase Inhibitors.
J.Med.Chem., 57, 2014
5MAR
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STRUCTURE OF HUMAN SIRT2 IN COMPLEX WITH 1,2,4-OXADIAZOLE INHIBITOR AND ADP RIBOSE.
Descriptor:NAD-dependent protein deacetylase sirtuin-2, ZINC ION, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, ...
Authors:Moniot, S., Steegborn, C.
Deposit date:2016-11-04
Release date:2017-03-15
Last modified:2017-04-05
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity.
J. Med. Chem., 60, 2017