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4BEW
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BU of 4bew by Molmil
SERCA bound to phosphate analogue
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, ACETATE ION, MAGNESIUM ION, ...
Authors:Drachmann, N.D, Mattle, D, Laursen, M, Bublitz, M, Olesen, C, Moeller, J.V, Nissen, P, Morth, J.P.
Deposit date:2013-03-12
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Serca Bound to Phosphate Analogue
To be Published
6A69
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BU of 6a69 by Molmil
Cryo-EM structure of a P-type ATPase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroplastin, Plasma membrane calcium-transporting ATPase 1
Authors:Gong, D.S, Chi, X.M, Ren, K, Huang, G.X.Y, Zhou, G.W, Yan, N, Lei, J.L, Zhou, Q.
Deposit date:2018-06-27
Release date:2018-09-19
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.11 Å)
Cite:Structure of the human plasma membrane Ca2+-ATPase 1 in complex with its obligatory subunit neuroplastin.
Nat Commun, 9, 2018
8WA5
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BU of 8wa5 by Molmil
Cryo-EM structure of the gastric proton pump Y799W/E936Q mutant in K+-occluded (K+)E2-AlF state
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K.
Deposit date:2023-09-07
Release date:2023-11-29
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Specific protonation of acidic residues confers K + selectivity to the gastric proton pump.
J.Biol.Chem., 300, 2023
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
6YAA
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BU of 6yaa by Molmil
Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP
Descriptor: 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ...
Authors:Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M.
Deposit date:2020-03-11
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia.
Cell Chem Biol, 27, 2020
6RB2
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BU of 6rb2 by Molmil
Structure of the (SR)Ca2+-ATPase mutant E340A in the Ca2-E1-CaAMPPCP form
Descriptor: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Clausen, J.D, Montigny, C, Lenoir, G, Arnou, B, Jaxel, C, Moller, J.V, Nissen, P, Andersen, J.P, Le Maire, M, Bublitz, M.
Deposit date:2019-04-09
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.20001125 Å)
Cite:The SERCA residue Glu340 mediates interdomain communication that guides Ca 2+ transport.
Proc.Natl.Acad.Sci.USA, 117, 2020
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
2O9J
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BU of 2o9j by Molmil
Crystal structure of calcium atpase with bound magnesium fluoride and cyclopiazonic acid
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, SODIUM ION, ...
Authors:Young, H.S, Moncoq, K.A.
Deposit date:2006-12-13
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The molecular basis for cyclopiazonic Acid inhibition of the sarcoplasmic reticulum calcium pump.
J.Biol.Chem., 282, 2007
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
1IWO
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BU of 1iwo by Molmil
Crystal structure of the SR Ca2+-ATPase in the absence of Ca2+
Descriptor: OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ...
Authors:Toyoshima, C, Nomura, H.
Deposit date:2002-05-26
Release date:2002-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural changes in the calcium pump accompanying the dissociation of calcium
Nature, 418, 2002
2OA0
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BU of 2oa0 by Molmil
Crystal structure of Calcium ATPase with bound ADP and cyclopiazonic acid
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, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Young, H.S, Moncoq, K.A.
Deposit date:2006-12-14
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The molecular basis for cyclopiazonic Acid inhibition of the sarcoplasmic reticulum calcium pump.
J.Biol.Chem., 282, 2007
5NCQ
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BU of 5ncq by Molmil
Structure of the (SR) Ca2+-ATPase bound to a Tetrahydrocarbazole and TNP-ATP
Descriptor: (1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM ION, ...
Authors:Bublitz, M, Kjellerup, L, O'Hanlon Cohrt, K, Gordon, S, Mortensen, A.L, Clausen, J.D, Pallin, D, Hansen, J.B, Brown, W.D, Fuglsang, A, Winther, A.-M.L.
Deposit date:2017-03-06
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Tetrahydrocarbazoles are a novel class of potent P-type ATPase inhibitors with antifungal activity.
PLoS ONE, 13, 2018
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:2024-05-15
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
1KJU
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BU of 1kju by Molmil
Ca2+-ATPase in the E2 State
Descriptor: Sarcoplasmic/endoplasmic reticulum calcium ATPase 1a
Authors:Xu, C, Rice, W.J, He, W, Stokes, D.L.
Deposit date:2001-12-05
Release date:2001-12-19
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (6 Å)
Cite:A structural model for the catalytic cycle of Ca(2+)-ATPase.
J.Mol.Biol., 316, 2002
4UU1
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BU of 4uu1 by Molmil
CRYSTAL STRUCTURE OF (SR) CALCIUM-ATPASE E2(TG) IN THE PRESENCE OF DOPC
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLYCEROL, MAGNESIUM ION, ...
Authors:Drachmann, N.D, Olesen, C, Moeller, J.V, Guo, Z, Nissen, P, Bublitz, M.
Deposit date:2014-07-24
Release date:2014-10-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparing Crystal Structures of Ca(2+) -ATPase in the Presence of Different Lipids.
FEBS J., 281, 2014
4NAB
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BU of 4nab by Molmil
Structure of the (SR)Ca2+-ATPase mutant E309Q in the Ca2-E1-MgAMPPCP form
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, POTASSIUM ION, ...
Authors:Bublitz, M, Clausen, J.D, Arnou, B, Montigny, C, Jaxel, C, Nissen, P, Moller, J.V, Andersen, J.P, le Maire, M.
Deposit date:2013-10-22
Release date:2013-12-18
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:SERCA mutant E309Q binds two Ca(2+) ions but adopts a catalytically incompetent conformation.
Embo J., 32, 2013
4XOU
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BU of 4xou by Molmil
Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser.
Descriptor: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Bublitz, M, Nass, K, Drachmann, N.D, Markvardsen, A.J, Gutmann, M.J, Barends, T.R.M, Mattle, D, Shoeman, R.L, Doak, R.B, Boutet, S, Messerschmidt, M, Seibert, M.M, Williams, G.J, Foucar, L, Reinhard, L, Sitsel, O, Gregersen, J.L, Clausen, J.D, Boesen, T, Gotfryd, K, Wang, K.-T, Olesen, C, Moller, J.V, Nissen, P, Schlichting, I.
Deposit date:2015-01-16
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser.
Iucrj, 2, 2015
1VFP
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BU of 1vfp by Molmil
Crystal structure of the SR CA2+-ATPase with bound AMPPCP
Descriptor: CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Toyoshima, C, Mizutani, T.
Deposit date:2004-04-18
Release date:2004-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the calcium pump with a bound ATP analogue.
Nature, 430, 2004
3IXZ
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BU of 3ixz by Molmil
Pig gastric H+/K+-ATPase complexed with aluminium fluoride
Descriptor: Potassium-transporting ATPase alpha, Potassium-transporting ATPase subunit beta
Authors:Abe, K, Tani, K, Nishizawa, T, Fujiyoshi, Y.
Deposit date:2009-03-09
Release date:2009-06-23
Last modified:2024-02-21
Method:ELECTRON CRYSTALLOGRAPHY (6.5 Å)
Cite:Inter-subunit interaction of gastric H+,K+-ATPase prevents reverse reaction of the transport cycle
Embo J., 28, 2009
4XE5
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BU of 4xe5 by Molmil
Crystal structure of the Na,K-ATPase from bovine
Descriptor: CHOLESTEROL, MAGNESIUM ION, OUABAIN, ...
Authors:Gregersen, J.L, Mattle, D, Fedosova, N.U, Nissen, P, Reinhard, L.
Deposit date:2014-12-22
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.901 Å)
Cite:Isolation, crystallization and crystal structure determination of bovine kidney Na(+),K(+)-ATPase.
Acta Crystallogr.,Sect.F, 72, 2016
4UX2
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BU of 4ux2 by Molmil
Cryo-EM structure of antagonist-bound E2P gastric H,K-ATPase (SCH.E2. MgF)
Descriptor: POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1, POTASSIUM-TRANSPORTING ATPASE SUBUNIT BETA
Authors:Abe, K, Tani, K, Fujiyoshi, Y.
Deposit date:2014-08-18
Release date:2014-09-17
Last modified:2014-11-12
Method:ELECTRON CRYSTALLOGRAPHY (7 Å)
Cite:Systematic Comparison of Molecular Conformations of H+,K+-ATPase Reveals an Important Contribution of the A-M2 Linker for the Luminal Gating.
J.Biol.Chem., 289, 2014
4UU0
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BU of 4uu0 by Molmil
CRYSTAL STRUCTURE OF (SR) CALCIUM-ATPASE E2(TG) IN THE PRESENCE OF 14:1 PC
Descriptor: GLYCEROL, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
Authors:Drachmann, N.D, Olesen, C, Moeller, J.V, Guo, Z, Nissen, P, Bublitz, M.
Deposit date:2014-07-24
Release date:2014-10-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparing Crystal Structures of Ca(2+) -ATPase in the Presence of Different Lipids.
FEBS J., 281, 2014
4UX1
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BU of 4ux1 by Molmil
Cryo-EM structure of antagonist-bound E2P gastric H,K-ATPase (SCH.E2. AlF)
Descriptor: POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1, POTASSIUM-TRANSPORTING ATPASE SUBUNIT BETA
Authors:Abe, K, Tani, K, Fujiyoshi, Y.
Deposit date:2014-08-18
Release date:2014-09-17
Last modified:2014-11-12
Method:ELECTRON CRYSTALLOGRAPHY (8 Å)
Cite:Systematic Comparison of Molecular Conformations of H+,K+-ATPase Reveals an Important Contribution of the A-M2 Linker for the Luminal Gating.
J.Biol.Chem., 289, 2014

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