Author results

2MFZ
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NMR STRUCTURE OF C-TERMINAL DOMAIN FROM A. VENTRICOSUS MINOR AMPULLATE SPIDROIN (MISP)
Descriptor:Minor ampullate spidroin
Authors:Otikovs, M., Jaudzems, K., Andersson, M., Chen, G., Landreh, M., Nordling, K., Kronqvist, N., Westermark, P., Jornvall, H., Knight, S., Ridderstrale, Y., Holm, L., Meng, Q., Chesler, M., Johansson, J., Rising, A.
Deposit date:2013-10-24
Release date:2014-08-20
Method:SOLUTION NMR
Cite:Carbonic Anhydrase Generates CO2 and H+ That Drive Spider Silk Formation Via Opposite Effects on the Terminal Domains
Plos Biol., 12, 2014
2X5U
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80 MICROSECOND LAUE DIFFRACTION SNAPSHOT FROM CRYSTALS OF A PHOTOSYNTHETIC REACTION CENTRE WITHOUT ILLUMINATION.
Descriptor:PHOTOSYNTHETIC REACTION CENTER CYTOCHROME C SUBUNIT, REACTION CENTER PROTEIN H CHAIN, REACTION CENTER PROTEIN L CHAIN, ...
Authors:Wohri, A.B., Katona, G., Johansson, L.C., Fritz, E., Malmerberg, E., Andersson, M., Vincent, J., Eklund, M., Cammarata, M., Wulff, M., Davidsson, J., Groenhof, G., Neutze, R.
Deposit date:2010-02-10
Release date:2010-05-12
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Light-induced structural changes in a photosynthetic reaction center caught by Laue diffraction.
Science, 328, 2010
2X5V
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80 MICROSECOND LAUE DIFFRACTION SNAPSHOT FROM CRYSTALS OF A PHOTOSYNTHETIC REACTION CENTRE 3 MILLISECOND FOLLOWING PHOTOACTIVATION.
Descriptor:PHOTOSYNTHETIC REACTION CENTER CYTOCHROME C SUBUNIT, REACTION CENTER PROTEIN H CHAIN, REACTION CENTER PROTEIN L CHAIN, ...
Authors:Wohri, A.B., Katona, G., Johansson, L.C., Fritz, E., Malmerberg, E., Andersson, M., Vincent, J., Eklund, M., Cammarata, M., Wulff, M., Davidsson, J., Groenhof, G., Neutze, R.
Deposit date:2010-02-10
Release date:2010-05-12
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Light-Induced Structural Changes in a Photosynthetic Reaction Center Caught by Laue Diffraction.
Science, 328, 2010
5MUT
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CRYSTAL STRUCTURE OF POTENT HUMAN DIHYDROOROTATE DEHYDROGENASE INHIBITORS BASED ON HYDROXYLATED AZOLE SCAFFOLDS
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Goyal, P., Andersson, M., Moritzer, A.C., Sainas, S., Pippione, A.C., Boschi, D., Al-Kadaraghi, S., Lolli, M., Friemann, R.
Deposit date:2017-01-14
Release date:2017-03-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
5MVC
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CRYSTAL STRUCTURE OF POTENT HUMAN DIHYDROOROTATE DEHYDROGENASE INHIBITORS BASED ON HYDROXYLATED AZOLE SCAFFOLDS
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Goyal, P., Andersson, M., Moritzer, A.C., Sainas, S., Pippione, A.C., Boschi, D., Al-Kadaraghi, S., Lolli, M., Friemann, R.
Deposit date:2017-01-16
Release date:2017-03-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
5MVD
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CRYSTAL STRUCTURE OF POTENT HUMAN DIHYDROOROTATE DEHYDROGENASE INHIBITORS BASED ON HYDROXYLATED AZOLE SCAFFOLDS
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Goyal, P., Andersson, M., Moritzer, A.C., Sainas, S., Pippione, A.C., Boschi, D., Al-Kadaraghi, S., Lolli, M., Friemann, R.
Deposit date:2017-01-16
Release date:2017-03-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
5NHY
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BAY-707 IN COMPLEX WITH MTH1
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, ~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, SULFATE ION, ...
Authors:Ellermann, M., Eheim, A., Giese, A., Bunse, S., Nowak-Reppel, K., Neuhaus, R., Weiske, J., Quanz, M., Glasauer, A., Meyer, H., Queisser, N., Irlbacher, H., Bader, B., Rahm, F., Viklund, J., Andersson, M., Ericsson, U., Ginman, T., Forsblom, R., Lindstrom, J., Silvander, C., Tresaugues, L., Gorjanacz, M.
Deposit date:2017-03-22
Release date:2017-07-19
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.
ACS Chem. Biol., 12, 2017
6ETJ
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HUMAN PFKFB3 IN COMPLEX WITH KAN0438241
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, DIMETHYL SULFOXIDE, FRUCTOSE-6-PHOSPHATE, ...
Authors:Gustafsson, N.M.S., Lundback, T., Farnegardh, K., Groth, P., Wiitta, E., Jonsson, M., Hallberg, K., Pennisi, R., Huguet Ninou, A., Martinsson, J., Norstrom, C., Schultz, J., Andersson, M., Markova, N., Marttila, P., Norin, M., Olin, T., Helleday, T.
Deposit date:2017-10-26
Release date:2018-11-07
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination.
Nat Commun, 9, 2018
6F1X
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COMPLEX BETWEEN MTH1 AND COMPOUND 7 (A 7-AZAINDOLE-2-AMIDE DERIVATIVE)
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, SULFATE ION
Authors:Viklund, J., Talagas, A., Tresaugues, L., Andersson, M., Ericsson, U., Forsblom, R., Ginman, T., Hallberg, K., Lindstrom, J., Persson, L., Silvander, C., Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F20
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COMPLEX BETWEEN MTH1 AND COMPOUND 1 (A 7-AZAINDOLE-4-ESTER DERIVATIVE)
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, SULFATE ION, ...
Authors:Viklund, J., Talagas, A., Tresaugues, L., Andersson, M., Ericsson, U., Forsblom, R., Ginman, T., Hallberg, K., Lindstrom, J., Persson, L., Silvander, C., Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F22
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COMPLEX BETWEEN MTH1 AND COMPOUND 29 (A 4-AMINO-2,7-DIAZAINDOLE DERIVATIVE)
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, SULFATE ION
Authors:Viklund, J., Talagas, A., Tresaugues, L., Andersson, M., Ericsson, U., Forsblom, R., Ginman, T., Hallberg, K., Lindstrom, J., Persson, L., Silvander, C., Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F23
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COMPLEX BETWEEN MTH1 AND COMPOUND 16 (A 4-AMINO-7-AZAINDOLE DERIVATIVE)
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, SULFATE ION, ...
Authors:Viklund, J., Tresaugues, L., Talagas, A., Andersson, M., Ericsson, U., Forsblom, R., Ginman, T., Hallberg, K., Lindstrom, J., Persson, L., Silvander, C., Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6FMD
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TARGETING MYELOID DIFFERENTIATION USING POTENT HUMAN DIHYDROOROTATE DEHYDROGENASE (HDHODH) INHIBITORS BASED ON 2-HYDROXYPYRAZOLO[1,5-A]PYRIDINE SCAFFOLD
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ...
Authors:Goyal, P., Jarva, M., Andersson, M., Lolli, M.L., Friemann, R.
Deposit date:2018-01-30
Release date:2018-07-11
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors.
J. Med. Chem., 61, 2018
4UMV
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CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN THE E2P STATE
Descriptor:ZINC-TRANSPORTING ATPASE, MAGNESIUM ION, BERYLLIUM TRIFLUORIDE ION
Authors:Wang, K.T., Sitsel, O., Meloni, G., Autzen, H.E., Andersson, M., Klymchuk, T., Nielsen, A.M., Rees, D.C., Nissen, P., Gourdon, P.
Deposit date:2014-05-21
Release date:2014-08-13
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Nature, 514, 2014
4UMW
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CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN E2.PI STATE
Descriptor:ZINC-TRANSPORTING ATPASE, TETRAFLUOROALUMINATE ION, MAGNESIUM ION
Authors:Wang, K.T., Sitsel, O., Meloni, G., Autzen, H.E., Andersson, M., Klymchuk, T., Nielsen, A.M., Rees, D.C., Nissen, P., Gourdon, P.
Deposit date:2014-05-21
Release date:2014-08-13
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Nature, 514, 2014
1IG5
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BOVINE CALBINDIN D9K BINDING MG2+
Descriptor:VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN, INTESTINAL, MAGNESIUM ION
Authors:Andersson, E.M., Svensson, L.A.
Deposit date:2001-04-17
Release date:2001-04-25
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for the negative allostery between Ca(2+)- and Mg(2+)-binding in the intracellular Ca(2+)-receptor calbindin D9k.
Protein Sci., 6, 1997
1IGV
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BOVINE CALBINDIN D9K BINDING MN2+
Descriptor:VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN, INTESTINAL, MANGANESE (II) ION
Authors:Andersson, E.M.
Deposit date:2001-04-18
Release date:2001-04-25
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the negative allostery between Ca(2+)- and Mg(2+)-binding in the intracellular Ca(2+)-receptor calbindin D9k.
Protein Sci., 6, 1997
4BBJ
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COPPER-TRANSPORTING PIB-ATPASE IN COMPLEX WITH BERYLLIUM FLUORIDE REPRESENTING THE E2P STATE
Descriptor:COPPER EFFLUX ATPASE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Mattle, D., Gourdon, P., Nissen, P.
Deposit date:2012-09-25
Release date:2013-12-11
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Copper-Transporting P-Type Atpases Use a Unique Ion-Release Pathway
Nat.Struct.Mol.Biol., 21, 2014
1MXR
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HIGH RESOLUTION STRUCTURE OF RIBONUCLEOTIDE REDUCTASE R2 FROM E. COLI IN ITS OXIDISED (MET) FORM
Descriptor:Ribonucleotide reductase R2, FE (III) ION, MERCURY (II) ION, ...
Authors:Andersson, M.A., Hogbom, M., Nordlund, P.
Deposit date:2002-10-03
Release date:2003-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Displacement of the tyrosyl radical cofactor in ribonucleotide reductase obtained by single-crystal high-field EPR and 1.4-A x-ray data.
Proc.Natl.Acad.Sci.Usa, 100, 2003
2LTH
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NMR STRUCTURE OF MAJOR AMPULLATE SPIDROIN 1 N-TERMINAL DOMAIN AT PH 5.5
Descriptor:Major ampullate spidroin 1
Authors:Otikovs, M., Jaudzems, K., Nordling, K., Landreh, M., Rising, A., Askarieh, G., Knight, S., Johansson, J.
Deposit date:2012-05-25
Release date:2013-11-27
Last modified:2014-03-26
Method:SOLUTION NMR
Cite:Sequential pH-driven dimerization and stabilization of the N-terminal domain enables rapid spider silk formation.
Nat Commun, 5, 2014
4HQJ
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CRYSTAL STRUCTURE OF NA+,K+-ATPASE IN THE NA+-BOUND STATE
Descriptor:Sodium/potassium-transporting ATPase subunit alpha-1, Sodium/potassium-transporting ATPase subunit beta-1, Na+/K+ ATPase gamma subunit transcript variant a, ...
Authors:Nyblom, M., Reinhard, L., Gourdon, P., Nissen, P.
Deposit date:2012-10-25
Release date:2013-10-02
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Crystal structure of Na+, K(+)-ATPase in the Na(+)-bound state.
Science, 342, 2013
5LG3
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X-RAY STRUCTURE OF A PENTAMERIC LIGAND GATED ION CHANNEL FROM ERWINIA CHRYSANTHEMI (ELIC) IN COMPLEX WITH CHLORPROMAZINE
Descriptor:Gamma-aminobutyric-acid receptor subunit beta-1, 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Authors:Nys, M., Wijckmans, E., Farinha, A., Brams, M., Spurny, R., Ulens, C.
Deposit date:2016-07-05
Release date:2016-10-26
Last modified:2016-11-09
Method:X-RAY DIFFRACTION (3.567 Å)
Cite:Allosteric binding site in a Cys-loop receptor ligand-binding domain unveiled in the crystal structure of ELIC in complex with chlorpromazine.
Proc.Natl.Acad.Sci.USA, 113, 2016
5LID
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X-RAY STRUCTURE OF A PENTAMERIC LIGAND GATED ION CHANNEL FROM ERWINIA CHRYSANTHEMI (ELIC) IN COMPLEX WITH BROMOPROMAZINE
Descriptor:Cys-loop ligand-gated ion channel, bromopromazine
Authors:Nys, M., Wijckmans, E., Farinha, A., Brams, M., Spurny, R., Ulens, C.
Deposit date:2016-07-14
Release date:2016-10-26
Last modified:2016-11-09
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Allosteric binding site in a Cys-loop receptor ligand-binding domain unveiled in the crystal structure of ELIC in complex with chlorpromazine.
Proc.Natl.Acad.Sci.USA, 113, 2016
1NKL
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NK-LYSIN FROM PIG, NMR, 20 STRUCTURES
Descriptor:NK-LYSIN
Authors:Otting, G., Liepinsh, E.
Deposit date:1997-04-17
Release date:1997-06-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Saposin fold revealed by the NMR structure of NK-lysin.
Nat.Struct.Biol., 4, 1997
2C4J
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HUMAN GLUTATHIONE-S-TRANSFERASE M2-2 T210S MUTANT IN COMPLEX WITH GLUTATHIONE-STYRENE OXIDE CONJUGATE
Descriptor:GLUTATHIONE S-TRANSFERASE MU 2, L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE
Authors:Tars, K., Andersson, M., Ivarsson, Y., Olin, B., Mannervik, B.
Deposit date:2005-10-20
Release date:2005-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Alternative Mutations of a Positively Selected Residue Elicit Gain or Loss of Functionalities in Enzyme Evolution.
Proc.Natl.Acad.Sci.USA, 103, 2006
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