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2MFZ
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BU of 2mfz by Molmil
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
8RXR
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BU of 8rxr by Molmil
Crystal structure of VPS34 in complex with inhibitor SB02024
Descriptor: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M.
Deposit date:2024-02-07
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 2024
6NRV
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BU of 6nrv by Molmil
Cryo-EM reconstruction of CFA/I pili
Descriptor: CFA/I fimbrial subunit B
Authors:Zheng, W, Andersson, M, Bullitt, E, Egelman, E.H.
Deposit date:2019-01-24
Release date:2019-09-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structure of the CFA/I pilus rod.
Iucrj, 6, 2019
4UMV
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BU of 4umv by Molmil
CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN THE E2P STATE
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ZINC-TRANSPORTING ATPASE
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:2024-01-10
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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BU of 4umw by Molmil
CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN E2.PI STATE
Descriptor: MAGNESIUM ION, TETRAFLUOROALUMINATE ION, ZINC-TRANSPORTING ATPASE
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:2024-01-10
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Nature, 514, 2014
7W7R
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BU of 7w7r by Molmil
High resolution structure of a fish aquaporin reveals a novel extracellular fold.
Descriptor: Aquaporin 1
Authors:Zeng, J, Schmitz, F, Isaksson, S, Glas, J, Arbab, O, Andersson, M, Sundell, K, Eriksson, L, Swaminathan, K, Tornroth-Horsefield, S, Hedfalk, K.
Deposit date:2021-12-06
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:High-resolution structure of a fish aquaporin reveals a novel extracellular fold.
Life Sci Alliance, 5, 2022
7W7S
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BU of 7w7s by Molmil
High resolution structure of a fish aquaporin reveals a novel extracellular fold.
Descriptor: Aquaporin 1
Authors:Zeng, J, Schmitz, F, Isaksson, S, Glas, J, Arbab, O, Andersson, M, Sundell, K, Eriksson, L, Swaminathan, K, Tornroth-Horsefield, S, Hedfalk, K.
Deposit date:2021-12-06
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution structure of a fish aquaporin reveals a novel extracellular fold.
Life Sci Alliance, 5, 2022
7Z6M
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BU of 7z6m by Molmil
Crystal structure of Zn2+-transporter BbZIP in a cadmium bound state
Descriptor: CADMIUM ION, Putative membrane protein
Authors:Wiuf, A, Steffen, J.H, Becares, E.R, Groenberg, C, Mahato, D.R, Rasmussen, S.G.F, Andersson, M, Croll, T, Gotfryd, K, Gourdon, P.
Deposit date:2022-03-13
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:The two-domain elevator-type mechanism of zinc-transporting ZIP proteins.
Sci Adv, 8, 2022
7Z6N
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BU of 7z6n by Molmil
Crystal structure of Zn2+-transporter BbZIP in a metal-stripped state
Descriptor: Putative membrane protein, SULFATE ION
Authors:Wiuf, A, Steffen, J.H, Becares, E.R, Groenberg, C, Mahato, D.R, Rasmussen, S.G.F, Andersson, M, Croll, T, Gotfryd, K, Gourdon, P.
Deposit date:2022-03-13
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The two-domain elevator-type mechanism of zinc-transporting ZIP proteins.
Sci Adv, 8, 2022
6FMD
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BU of 6fmd by Molmil
Targeting myeloid differentiation using potent human dihydroorotate dehydrogenase (hDHODH) inhibitors based on 2-hydroxypyrazolo[1,5-a]pyridine scaffold
Descriptor: 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ACETATE ION, CHLORIDE ION, ...
Authors:Goyal, P, Jarva, M, Andersson, M, Lolli, M.L, Friemann, R.
Deposit date:2018-01-30
Release date:2018-07-11
Last modified:2024-01-17
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
6F22
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BU of 6f22 by Molmil
Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative)
Descriptor: (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, 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:2024-01-17
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
6F1X
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BU of 6f1x by Molmil
Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative)
Descriptor: 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, 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:2024-01-17
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
6F23
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BU of 6f23 by Molmil
Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative)
Descriptor: 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ...
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:2024-01-17
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
6F20
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BU of 6f20 by Molmil
Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative)
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ...
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:2024-01-17
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
6ETJ
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BU of 6etj by Molmil
HUMAN PFKFB3 IN COMPLEX WITH KAN0438241
Descriptor: 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
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
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination.
Nat Commun, 9, 2018
5NHY
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BU of 5nhy by Molmil
BAY-707 in complex with MTH1
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, 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:2024-01-17
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
5MVC
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BU of 5mvc by Molmil
Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds
Descriptor: 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide, ACETATE ION, CHLORIDE ION, ...
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
Last modified:2024-01-17
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
5MUT
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BU of 5mut by Molmil
Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds
Descriptor: 2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ...
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
Last modified:2024-01-17
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
5MVD
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BU of 5mvd by Molmil
Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds
Descriptor: 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ...
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
Last modified:2024-01-17
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
2X5V
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BU of 2x5v by Molmil
80 microsecond laue diffraction snapshot from crystals of a photosynthetic reaction centre 3 millisecond following photoactivation.
Descriptor: BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, FE (II) ION, ...
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:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Light-Induced Structural Changes in a Photosynthetic Reaction Center Caught by Laue Diffraction.
Science, 328, 2010
2X5U
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BU of 2x5u by Molmil
80 microsecond Laue diffraction snapshot from crystals of a photosynthetic reaction centre without illumination.
Descriptor: BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, FE (II) ION, ...
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:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Light-induced structural changes in a photosynthetic reaction center caught by Laue diffraction.
Science, 328, 2010
1IGV
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BU of 1igv by Molmil
BOVINE CALBINDIN D9K BINDING MN2+
Descriptor: MANGANESE (II) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN, INTESTINAL
Authors:Andersson, E.M.
Deposit date:2001-04-18
Release date:2001-04-25
Last modified:2024-02-07
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
1IG5
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BU of 1ig5 by Molmil
BOVINE CALBINDIN D9K BINDING MG2+
Descriptor: MAGNESIUM ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN, INTESTINAL
Authors:Andersson, E.M, Svensson, L.A.
Deposit date:2001-04-17
Release date:2001-04-25
Last modified:2024-02-07
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
4BBJ
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BU of 4bbj by Molmil
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:2023-12-20
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
8EHS
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BU of 8ehs by Molmil
Cryo-EM reconstruction of the CS17 bacterial adhesion pili
Descriptor: CS17 fimbriae major subunit
Authors:Doran, M.H, Bullitt, E.
Deposit date:2022-09-14
Release date:2023-03-22
Last modified:2023-05-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Three structural solutions for bacterial adhesion pilus stability and superelasticity.
Structure, 31, 2023

 

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