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6DFM
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BU of 6dfm by Molmil
Crystal structure of human GRP78 in complex with 8-aminoadenosine
Descriptor: (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Endoplasmic reticulum chaperone BiP
Authors:Ferrie, R.P, Chen, Y, Antoshchenko, T, Cooney, O.M, Huang, Y, Park, H.W.
Deposit date:2018-05-15
Release date:2019-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of human GRP78 in complex with 8-aminoadenosine
To be Published
6GFA
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BU of 6gfa by Molmil
Structure of Nucleotide binding domain of HSP110, ATP and Mg2+ complexed
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 105 kDa, MAGNESIUM ION
Authors:Gonzalez, D, Gotthard, G, Gozzi, G.J, Seigneuric, R, Neiers, F, Briand, L, Garrido, C.
Deposit date:2018-04-29
Release date:2019-05-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selecting the first chemical molecule inhibitor of HSP110 for colorectal cancer therapy.
Cell Death Differ., 27, 2020
6NHK
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BU of 6nhk by Molmil
Mortalin nucleotide binding domain in the ADP-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Page, R.C, Moseng, M.A, Nix, J.C.
Deposit date:2018-12-23
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.777 Å)
Cite:Biophysical Consequences of EVEN-PLUS Syndrome Mutations for the Function of Mortalin.
J.Phys.Chem.B, 123, 2019
6CZ1
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BU of 6cz1 by Molmil
Crystal structure of ATPase domain of Human GRP78 bound to Ver155008
Descriptor: 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Endoplasmic reticulum chaperone BiP, MAGNESIUM ION
Authors:Antoshchenko, T, Chen, Y, Hughes, S, Park, H.
Deposit date:2018-04-07
Release date:2019-04-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystallographic selection of adenosine analogs that fit the mold of the active site of human GRP78 and beyond
To be Published
6HA7
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BU of 6ha7 by Molmil
Crystal structure of the BiP NBD and MANF complex
Descriptor: 1,2-ETHANEDIOL, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor
Authors:Yan, Y, Ron, D.
Deposit date:2018-08-07
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
6H9U
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BU of 6h9u by Molmil
Crystal structure of the BiP NBD and MANF SAP complex
Descriptor: D-MALATE, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor, ...
Authors:Yan, Y, Ron, D.
Deposit date:2018-08-06
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
6HAB
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BU of 6hab by Molmil
Crystal structure of BiP V461F (apo)
Descriptor: DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP
Authors:Yan, Y, Ron, D.
Deposit date:2018-08-07
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
6FHK
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BU of 6fhk by Molmil
Structure of a modified protein containing a genetically encoded phosphoserine
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, MAGNESIUM ION, ...
Authors:Mukherjee, M, Bayliss, R.
Deposit date:2018-01-14
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.657 Å)
Cite:Mitotic phosphorylation regulates Hsp72 spindle localization by uncoupling ATP binding from substrate release.
Sci Signal, 11, 2018
6G3S
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BU of 6g3s by Molmil
Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Second structure of two TEW-HSP70 structures deposited.
Descriptor: 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ...
Authors:Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A.
Deposit date:2018-03-26
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
6G3R
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BU of 6g3r by Molmil
Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Structure one of two TEW-HSP70 structures deposited.
Descriptor: 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ...
Authors:Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A.
Deposit date:2018-03-26
Release date:2018-10-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
5XIR
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BU of 5xir by Molmil
Solution structure for human HSP70 substrate binding domain L542Y mutant
Descriptor: Heat shock 70 kDa protein 1A
Authors:Hoshikawa, M, Tochio, N, Tate, S.
Deposit date:2017-04-27
Release date:2018-05-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Substrate Binding Switches the Conformation at the Lynchpin Site in the Substrate-Binding Domain of Human Hsp70 to Enable Allosteric Interdomain Communication.
Molecules, 23, 2018
5XI9
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BU of 5xi9 by Molmil
Solution structure for human HSP70 substrate binding domain
Descriptor: Heat shock 70 kDa protein 1A
Authors:Hoshikawa, M, Tochio, N, Tate, S.
Deposit date:2017-04-26
Release date:2018-05-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Substrate Binding Switches the Conformation at the Lynchpin Site in the Substrate-Binding Domain of Human Hsp70 to Enable Allosteric Interdomain Communication.
Molecules, 23, 2018
5OBU
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BU of 5obu by Molmil
Mycoplasma genitalium DnaK deletion mutant lacking SBDalpha in complex with AMPPNP.
Descriptor: Chaperone protein DnaK, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Adell, M, Calisto, B, Fita, I, Martinelli, L.
Deposit date:2017-06-29
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone.
Protein Sci., 27, 2018
5OBW
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BU of 5obw by Molmil
Mycoplasma genitalium DnaK-NBD in complex with ATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein DnaK, GLYCEROL, ...
Authors:Adell, M, Calisto, B, Fita, I, Martinelli, L.
Deposit date:2017-06-29
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone.
Protein Sci., 27, 2018
5OBY
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BU of 5oby by Molmil
Mycoplasma genitalium DnaK-NBD in complex with AMP-PNP
Descriptor: Chaperone protein DnaK, GLYCEROL, MAGNESIUM ION, ...
Authors:Adell, M, Calisto, B, Fita, I, Martinelli, L.
Deposit date:2017-06-29
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone.
Protein Sci., 27, 2018
5OBV
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BU of 5obv by Molmil
Mycoplasma genitalium DnaK deletion mutant lacking SBDalpha in complex with ADP and Pi.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein DnaK, PHOSPHATE ION
Authors:Adell, M, Calisto, B, Fita, I, Martinelli, L.
Deposit date:2017-06-29
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone.
Protein Sci., 27, 2018
5OBX
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BU of 5obx by Molmil
Mycoplasma genitalium DnaK-NBD
Descriptor: Chaperone protein DnaK, GLYCEROL, SULFATE ION, ...
Authors:Adell, M, Calisto, B, Fita, I, Martinelli, L.
Deposit date:2017-06-29
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone.
Protein Sci., 27, 2018
5OOW
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BU of 5oow by Molmil
Crystal structure of lobe II from the nucleotide binding domain of DnaK in complex with AMPPCP
Descriptor: Chaperone protein DnaK, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Jakob, R.P, Bauer, D, Meinhold, S, Stigler, J, Merkel, U, Maier, T, Rief, M, Zoldak, G.
Deposit date:2017-08-09
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A folding nucleus and minimal ATP binding domain of Hsp70 identified by single-molecule force spectroscopy.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5NRO
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BU of 5nro by Molmil
Structure of full-length DnaK with bound J-domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaJ, Chaperone protein DnaK, ...
Authors:Kopp, J, Kityk, R, Mayer, M.P.
Deposit date:2017-04-25
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Molecular Mechanism of J-Domain-Triggered ATP Hydrolysis by Hsp70 Chaperones.
Mol. Cell, 69, 2018
6B1N
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BU of 6b1n by Molmil
Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Heat shock protein family A (Hsp70) member 8, ...
Authors:O'Donnell, J.P.
Deposit date:2017-09-18
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant.
Biochemistry, 57, 2018
6B1I
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BU of 6b1i by Molmil
Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Heat shock protein family A (Hsp70) member 8, ...
Authors:O'Donnell, J.P.
Deposit date:2017-09-18
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant.
Biochemistry, 57, 2018
6B1M
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BU of 6b1m by Molmil
Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant
Descriptor: GLYCEROL, Heat shock protein family A (Hsp70) member 8, MAGNESIUM ION, ...
Authors:O'Donnell, J.P.
Deposit date:2017-09-18
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant.
Biochemistry, 57, 2018
6ASY
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BU of 6asy by Molmil
BiP-ATP2
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L.
Deposit date:2017-08-26
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
5O4P
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BU of 5o4p by Molmil
Crystal structure of AMPylated GRP78
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE MONOPHOSPHATE, SULFATE ION
Authors:Yan, Y, Chen, R, Ron, D, Read, R.
Deposit date:2017-05-30
Release date:2017-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
6EOE
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BU of 6eoe by Molmil
Crystal structure of AMPylated GRP78 with nucleotide
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, CITRATE ANION, ...
Authors:Yan, Y, Preissler, S, Ron, D, Read, R.J.
Deposit date:2017-10-09
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017

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