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8D22
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BU of 8d22 by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with Piclidenoson
Descriptor: Chaperone DnaK, Piclidenoson, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D1Y
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BU of 8d1y by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with Trans-Zeatin Riboside
Descriptor: Chaperone DnaK, N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D20
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BU of 8d20 by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with 5'-Methylthioadenosine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chaperone DnaK, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D1S
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BU of 8d1s by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with Toyocamycin
Descriptor: 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Chaperone DnaK, SULFATE ION
Authors:Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D1W
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BU of 8d1w by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Descriptor: 8-{[(2-chlorophenyl)methyl]amino}adenosine, Chaperone DnaK, SULFATE ION
Authors:Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W, Smil, D, Zepeda, C.A.V.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting Plasmodium falciparum GRP78: nucleoside analogues as agents against the malaria chaperone
Frontiers in Molecular Bioscience, 2022
8D24
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BU of 8d24 by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 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, Chaperone DnaK, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
6H54
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BU of 6h54 by Molmil
CRYSTAL STRUCTURE OF BOVINE HSC70(AA1-554)E213A/D214A IN COMPLEX WITH INHIBITOR VER155008
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, GLYCEROL, ...
Authors:Plank, C, Zehe, M, Grimm, C, Sotriffer, C.
Deposit date:2018-07-23
Release date:2019-08-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
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
7FGM
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BU of 7fgm by Molmil
The complex crystals structure of the FAF1 UBL1_L-Hsp70 NBD with ADP and phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FAS-associated factor 1, Heat shock 70 kDa protein 1A, ...
Authors:Kim, E.E, ParK, J.K, Shin, S.C.
Deposit date:2021-07-27
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The complex of Fas-associated factor 1 with Hsp70 stabilizes the adherens junction integrity by suppressing RhoA activation
J Mol Cell Biol, 14, 2022
7F4Z
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BU of 7f4z by Molmil
X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1B, ...
Authors:Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
7F50
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BU of 7f50 by Molmil
X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with AMPPnP
Descriptor: CHLORIDE ION, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ...
Authors:Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
7F4X
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BU of 7f4x by Molmil
Joint neutron and X-ray crystal structure of the nucleotide-binding domain of Hsp72 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ...
Authors:Yokoyama, T, Ostermann, A, Schrader, T.E.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
7JNE
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BU of 7jne by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGSQLRIASR
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2020-08-04
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JMM
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BU of 7jmm by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RAKNIILLSR
Descriptor: Alkaline phosphatase, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2020-08-02
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JN8
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BU of 7jn8 by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGNTLVIVSR
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2020-08-04
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZHI
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BU of 6zhi by Molmil
Structure of the Plasmodium falciparum Hsp70-x substrate binding domain in complex with hydrophobic peptide
Descriptor: ASN-ARG-LEU-LEU-LEU-THR-GLY, Heat shock protein 70
Authors:Schmidt, J, Vakonakis, I.
Deposit date:2020-06-23
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of the PfHsp70-x SBD
Acta Crystallographica Section F
6ZYI
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BU of 6zyi by Molmil
Crystal structure of HSP70 ATPase domain in complex with ADP and calcium
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Heat shock 70kDa protein 1A variant
Authors:Yan, Y, Preissler, S, Ron, D.
Deposit date:2020-08-01
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
6ZYJ
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BU of 6zyj by Molmil
Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Yan, Y, Preissler, S, Ron, D.
Deposit date:2020-08-01
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
7A4V
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BU of 7a4v by Molmil
Crystal structure of lid-truncated ADP-bound BiP in an oligomeric state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Endoplasmic reticulum chaperone BiP, GLYCEROL, ...
Authors:Perera, L.A, Ron, D.
Deposit date:2020-08-20
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
6ZYH
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BU of 6zyh by Molmil
Crystal structure of GRP78 (70kDa heat shock protein 5 / BiP) ATPase domain in complex with ADP and calcium
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Endoplasmic reticulum chaperone BiP
Authors:Yan, Y, Preissler, S, Ron, D.
Deposit date:2020-08-01
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
7A4U
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BU of 7a4u by Molmil
Crystal structure of lid-truncated apo BiP in an oligomeric state
Descriptor: Endoplasmic reticulum chaperone BiP, GLYCEROL
Authors:Perera, L.A, Ron, D.
Deposit date:2020-08-20
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
5MKR
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BU of 5mkr by Molmil
HSP72-NBD bound to compound TCI 8 - Tyr15 in up-conformation
Descriptor: 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate, CITRATE ANION, Heat shock 70 kDa protein 1A
Authors:Pettinger, J, Westwood, I.M, Cronin, N, Le Bihan, Y.-V, Van Montfort, R.L.M.
Deposit date:2016-12-05
Release date:2017-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MKS
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BU of 5mks by Molmil
HSP72-NBD bound to compound TCI 8 - Tyr15 in down-conformation
Descriptor: 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate, Heat shock 70 kDa protein 1A
Authors:Pettinger, J, Westwood, I.M, Cronin, N, Le Bihan, Y.-V, Van Montfort, R.L.M.
Deposit date:2016-12-05
Release date:2017-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MB9
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BU of 5mb9 by Molmil
Crystal structure of the eukaryotic ribosome associated complex (RAC), a unique Hsp70/Hsp40 pair
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Gumiero, A, Weyer, F.A, Valentin Gese, G, Lapouge, K, Sinning, I.
Deposit date:2016-11-07
Release date:2016-12-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into a unique Hsp70-Hsp40 interaction in the eukaryotic ribosome-associated complex.
Nat. Struct. Mol. Biol., 24, 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

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