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PDB: 119 results

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
6I7K
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BU of 6i7k by Molmil
Crystal structure of monomeric FICD mutant L258D complexed with MgATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, ETHANOL, ...
Authors:Perera, L.A, Yan, Y, Read, R.J, Ron, D.
Deposit date:2018-11-16
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
6I7J
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BU of 6i7j by Molmil
Crystal structure of monomeric FICD mutant L258D
Descriptor: Adenosine monophosphate-protein transferase FICD, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Perera, L.A, Yan, Y, Read, R.J, Ron, D.
Deposit date:2018-11-16
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
4V0W
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BU of 4v0w by Molmil
The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-669)
Descriptor: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
Authors:Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
Deposit date:2014-09-18
Release date:2015-03-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
4V0U
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The crystal structure of ternary PP1G-PPP1R15B and G-actin complex
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
Deposit date:2014-09-18
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (7.88 Å)
Cite:G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
4V0V
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BU of 4v0v by Molmil
The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-660)
Descriptor: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT, ...
Authors:Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
Deposit date:2014-09-18
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
8UQV
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BU of 8uqv by Molmil
Trehalose Synthase (TreS) of Mycobacterium tuberculosis in complex with 6-TreAz compound
Descriptor: 6-azido-6-deoxy-alpha-D-glucopyranose, CALCIUM ION, Trehalose synthase/amylase TreS, ...
Authors:Pathirage, R, Ronning, D.R.
Deposit date:2023-10-24
Release date:2024-03-27
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Targeting Mycobacterium tuberculosis Persistence through Inhibition of the Trehalose Catalytic Shift.
Acs Infect Dis., 10, 2024
7NZM
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BU of 7nzm by Molmil
Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Yan, Y, Hardwick, S, Ron, D.
Deposit date:2021-03-24
Release date:2021-09-29
Last modified:2021-10-20
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Higher-order phosphatase-substrate contacts terminate the integrated stress response.
Nat.Struct.Mol.Biol., 28, 2021
7NXV
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BU of 7nxv by Molmil
Crystal structure of the complex of DNase I/G-actin/PPP1R15A_582-621
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Yan, Y, Ron, D.
Deposit date:2021-03-19
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Higher-order phosphatase-substrate contacts terminate the integrated stress response.
Nat.Struct.Mol.Biol., 28, 2021
8UZH
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BU of 8uzh by Molmil
SUMO fused Trehalose Synthase (TreS) of Mycobacterium tuberculosis
Descriptor: CALCIUM ION, SUMO fused Trehalose Synthase (TreS),Trehalose synthase/amylase TreS
Authors:Pathirage, R, Ronning, D.R.
Deposit date:2023-11-15
Release date:2024-03-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeting Mycobacterium tuberculosis Persistence through Inhibition of the Trehalose Catalytic Shift.
Acs Infect Dis., 10, 2024
8D6K
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BU of 8d6k by Molmil
Sco GlgEI-V279S in complex with cyclohexyl carbasugar
Descriptor: (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER
Authors:Jayasinghe, T.J, Ronning, D.R.
Deposit date:2022-06-06
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative.
Front Chem, 10, 2022
7MYG
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BU of 7myg by Molmil
M. tb Ag85C modified by THL-10d
Descriptor: Diacylglycerol acyltransferase, GLYCEROL
Authors:Sudasinghe, T.D, Ronning, D.R.
Deposit date:2021-05-21
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Total Synthesis of Tetrahydrolipstatin, Its Derivatives, and Evaluation of Their Ability to Potentiate Multiple Antibiotic Classes against Mycobacterium Species.
Acs Infect Dis., 7, 2021
5CCE
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BU of 5cce by Molmil
Joint X-ray/neutron structure of wild type MTAN complexed with SRH and adenine
Descriptor: 5'-Methylthioadenosine Nucleosidase, ADENINE, S-ribosylhomocysteine, ...
Authors:Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
Deposit date:2015-07-02
Release date:2016-11-16
Last modified:2023-09-27
Method:NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION
Cite:Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
Descriptor: Conserved protein, Mycothiol, ZINC ION
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-15
Release date:2023-04-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
1MTO
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BU of 1mto by Molmil
Crystal structure of a Phosphofructokinase mutant from Bacillus stearothermophilus bound with fructose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase
Authors:Riley-Lovingshimer, M.R, Ronning, D.R, Sacchettini, J.C, Reinhart, G.D.
Deposit date:2002-09-21
Release date:2002-12-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Reversible Ligand-Induced Dissociation of a Tryptophan-Shift Mutant of Phosphofructokinase from Bacillus stearothermophilus
Biochemistry, 41, 2002
8F2L
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BU of 8f2l by Molmil
Crystal structure of Mycobacterium tuberculosis Homoserine transacetylase in complex with L-Homoserine
Descriptor: Homoserine O-acetyltransferase, L-HOMOSERINE
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-08
Release date:2023-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
7UVD
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BU of 7uvd by Molmil
Sco GlgEI-V279S in complex with cyclohexyl carbasugar
Descriptor: (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-30
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Sco GlgEI-V279S in complex with cyclohexyl carbasugar
To Be Published
1YNK
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BU of 1ynk by Molmil
Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeteners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647
Descriptor: 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL, Ig gamma heavy chain, immunoglobulin kappa light chain
Authors:Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B.
Deposit date:2005-01-24
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Biochemistry, 44, 2005
1YNL
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BU of 1ynl by Molmil
Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeterners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647
Descriptor: 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, Ig gamma heavy chain, Ig gamma light chain
Authors:Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B.
Deposit date:2005-01-24
Release date:2005-08-16
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Biochemistry, 44, 2005
5CCD
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BU of 5ccd by Molmil
Joint X-ray/neutron structure of MTAN D198N complex with SAH
Descriptor: Aminodeoxyfutalosine nucleosidase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
Deposit date:2015-07-01
Release date:2016-11-23
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
Cite:Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
1NUN
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BU of 1nun by Molmil
Crystal Structure Analysis of the FGF10-FGFR2b Complex
Descriptor: Fibroblast growth factor-10, POLYETHYLENE GLYCOL (N=34), SULFATE ION, ...
Authors:Yeh, B.K, Igarashi, M, Eliseenkova, A.V, Plotnikov, A.N, Sher, I, Ron, D, Aaronson, S.A, Mohammadi, M.
Deposit date:2003-01-31
Release date:2003-02-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis by which alternative splicing confers specificity in fibroblast growth factor receptors.
Proc.Natl.Acad.Sci.USA, 100, 2003
3HRH
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BU of 3hrh by Molmil
Crystal Structure of Antigen 85C and Glycerol
Descriptor: Antigen 85-C, GLYCEROL
Authors:Boucau, J, Sanki, A.K, Umesiri, F.E, Sucheck, S.J, Ronning, D.R.
Deposit date:2009-06-09
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, synthesis and biological evaluation of sugar-derived esters, alpha-ketoesters and alpha-ketoamides as inhibitors for Mycobacterium tuberculosis antigen 85C.
Mol Biosyst, 5, 2009
7USK
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BU of 7usk by Molmil
BRD4-BD2 Ligand free
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USH
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BU of 7ush by Molmil
BRD2-BD2 in complex with SF2523
Descriptor: 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023

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