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5MRI
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BU of 5mri by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2016-12-23
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017
5MRH
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BU of 5mrh by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one, Sortilin, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2016-12-23
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017
4MSL
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BU of 4msl by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431
Descriptor: N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2013-09-18
Release date:2014-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
5O1S
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BU of 5o1s by Molmil
Dimethyl fumarate is an allosteric covalent inhibitor of the p90 ribosomal S6 kinases
Descriptor: Dimethyl fumarate, Ribosomal protein S6 kinase alpha-3, SODIUM ION
Authors:Andersen, J.L, Nissen, P.
Deposit date:2017-05-19
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dimethyl fumarate is an allosteric covalent inhibitor of the p90 ribosomal S6 kinases.
Nat Commun, 9, 2018
4N7E
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BU of 4n7e by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469
Descriptor: 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2013-10-15
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.
Bioorg.Med.Chem.Lett., 24, 2014
7YZR
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BU of 7yzr by Molmil
50 mM Rb+ soak of beryllium fluoride inhibited Na+,K+-ATPase, E2-BeFx (rigid body model)
Descriptor: BERYLLIUM TRIFLUORIDE ION, FXYD domain-containing ion transport regulator, MAGNESIUM ION, ...
Authors:Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shasavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P.
Deposit date:2022-02-21
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (6.92 Å)
Cite:The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
7Z04
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BU of 7z04 by Molmil
10 mM Rb+ soak of beryllium fluoride inhibited Na+,K+-ATPase, E2-BeFx (rigid body model)
Descriptor: BERYLLIUM TRIFLUORIDE ION, FXYD domain-containing ion transport regulator, MAGNESIUM ION, ...
Authors:Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shasavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P.
Deposit date:2022-02-22
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (7.5 Å)
Cite:The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
6HXB
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BU of 6hxb by Molmil
SERCA2a from pig heart
Descriptor: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Sitsel, A, Andersen, J.L, Nissen, P, Olesen, C.
Deposit date:2018-10-16
Release date:2019-02-27
Last modified:2020-09-30
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structures of the heart specific SERCA2a Ca 2+ -ATPase.
Embo J., 38, 2019
6HEF
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BU of 6hef by Molmil
Room temperature structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Hjorth-Jensen, S, Sorensen, T.L.M, Oksanen, E, Andersen, J.L, Olesen, C, Moller, J.V, Nissen, P.
Deposit date:2018-08-20
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.538 Å)
Cite:Membrane-protein crystals for neutron diffraction.
Acta Crystallogr D Struct Biol, 74, 2018
8OWL
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BU of 8owl by Molmil
SR Ca(2+)-ATPase in the E2 state complexed with the photoswitch-thapsigargin derivative AzTG-6
Descriptor: ACETYL GROUP, SODIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1, ...
Authors:Hjorth-Jensen, S.J, Konrad, D.B, Quistgaard, E.M.H, Hansen, L.C, Novak, A, Chu, H, Jurasek, M, Zimmermann, T, Andersen, J.L, Baran, P.S, Nissen, P, Trauner, D.
Deposit date:2023-04-28
Release date:2023-06-21
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Photoswitchable inhibitors of the sarco(endo)plasmic calcium pump
To Be Published
8OWA
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BU of 8owa by Molmil
SR Ca(2+)-ATPase in the E2 state complexed with the photoswitch-thapsigargin derivative AzTG-4
Descriptor: ACETYL GROUP, SODIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1, ...
Authors:Hjorth-Jensen, S.J, Konrad, D.B, Quistgaard, E.M.H, Hansen, L.C, Novak, A, Chu, H, Jurasek, M, Zimmermann, T, Andersen, J.L, Baran, P.S, Nissen, P, Trauner, D.
Deposit date:2023-04-27
Release date:2023-06-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Photoswitchable inhibitors of the sarco(endo)plasmic calcium pump
To Be Published
7QTV
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BU of 7qtv by Molmil
Beryllium fluoride form of the Na+,K+-ATPase (E2-BeFx)
Descriptor: 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shahsavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P.
Deposit date:2022-01-16
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.05 Å)
Cite:The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
6EHO
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BU of 6eho by Molmil
Dimer of the Sortilin Vps10p domain at low pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Thirup, S.S, Quistgaard, E.H, Januliene, D, Andersen, J.L, Nielsen, J.A.
Deposit date:2017-09-14
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Acidic Environment Induces Dimerization and Ligand Binding Site Collapse in the Vps10p Domain of Sortilin.
Structure, 25, 2017
5MPM
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BU of 5mpm by Molmil
SERCA2a from pig heart
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Drachmann, N.D, Sitsel, A, Andersen, J.L, Nissen, P, Olesen, C.
Deposit date:2016-12-16
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the heart specific SERCA2a Ca2+-ATPase.
Embo J., 38, 2019
6QUC
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BU of 6quc by Molmil
Truncated beta-galactosidase III from Bifidobacterium bifidum
Descriptor: Beta-galactosidase, CALCIUM ION, IMIDAZOLE
Authors:Thirup, S.S, Nielsen, J.A, Andersen, J.L, Alsarraf, H, Blaise, M.
Deposit date:2019-02-27
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Truncated beta-galactosidase III from Bifidobacterium bifidum
To Be Published
6QUB
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BU of 6qub by Molmil
Truncated beta-galactosidase III from Bifidobacterium bifidum in complex with galactose
Descriptor: Beta-galactosidase, CALCIUM ION, beta-D-galactopyranose
Authors:Thirup, S.S, Nielsen, J.A, Andersen, J.L, Alsarraf, H, Blaise, M.
Deposit date:2019-02-27
Release date:2020-03-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Truncated beta-galactosidase III from Bifidobacterium bifidum
To Be Published
6QUD
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BU of 6qud by Molmil
2-deoxy-galactose reaction intermediate of a Truncated beta-galactosidase III from Bifidobacterium bifidum
Descriptor: 2-deoxy-alpha-D-galactopyranose, Beta-galactosidase, CALCIUM ION
Authors:Thirup, S.S, Nielsen, J.A, Andersen, J.L, Alsarraf, H, Blaise, M.
Deposit date:2019-02-27
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Truncated beta-galactosidase III from Bifidobacterium bifidum
To Be Published
7U4Z
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BU of 7u4z by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at very low protein concentration
Descriptor: POTASSIUM ION, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
Authors:Nawarathnage, S, Smith, T, Moody, J.D.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
7U4W
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BU of 7u4w by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at traditional protein concentration
Descriptor: Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
Authors:Nawarathnage, S, Pedroza Romo, M.J, Smith, T, Bunn, D, Stewart, C, Doukov, T, Moody, J.D.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
6ZHH
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BU of 6zhh by Molmil
Ca2+-ATPase from Listeria Monocytogenes with G4 insertion.
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, ...
Authors:Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P.
Deposit date:2020-06-23
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
6ZHF
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BU of 6zhf by Molmil
Calcium ATPase-1 from Listeria monocytogenes in complex with BeF
Descriptor: BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, MAGNESIUM ION
Authors:Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P.
Deposit date:2020-06-23
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
6ZHG
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BU of 6zhg by Molmil
Ca2+-ATPase from Listeria Monocytogenes in complex with AlF
Descriptor: Calcium-transporting ATPase, MAGNESIUM ION, TETRAFLUOROALUMINATE ION
Authors:Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P.
Deposit date:2020-06-23
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
7T8J
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BU of 7t8j by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a GSGG linker
Descriptor: CHLORIDE ION, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
Authors:Soleimani, S, Pedroza Romo, M.J, Smith, T, Brown, S, Doukov, T, Moody, J.D.
Deposit date:2021-12-16
Release date:2022-12-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
7TDY
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BU of 7tdy by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase 1, flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at low protein concentration
Descriptor: FORMIC ACID, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
Authors:Nawarathnage, S, Bunn, D.R, Stewart, C, Doukev, T, Moody, J.D.
Deposit date:2022-01-03
Release date:2023-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
7TCY
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BU of 7tcy by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase I
Descriptor: CHLORIDE ION, FORMIC ACID, MAGNESIUM ION, ...
Authors:Nawarathnage, S, Bunn, R.D, Stewart, C, Doukov, T, Moody, J.D.
Deposit date:2021-12-29
Release date:2023-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023

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