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7LWA
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BU of 7lwa by Molmil
Human Exonuclease 5 crystal structure (T88E) in complex with ssDNA and Mg
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Exonuclease V, ...
Authors:Tsai, C.L, Tainer, J.A.
Deposit date:2021-02-28
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
7LW7
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BU of 7lw7 by Molmil
Human Exonuclease 5 crystal structure
Descriptor: 1,2-ETHANEDIOL, Exonuclease V, GLYCEROL, ...
Authors:Tsai, C.L, Tainer, J.A.
Deposit date:2021-02-27
Release date:2021-07-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
7LW9
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BU of 7lw9 by Molmil
Human Exonuclease 5 crystal structure in complex with ssDNA, Sm, and Na
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*AP*TP*TP*GP*CP*TP*GP*AP*AP*GP*GP*G)-3'), ...
Authors:Tsai, C.L, Tainer, J.A.
Deposit date:2021-02-28
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
7LGI
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BU of 7lgi by Molmil
The haddock model of GDP KRas in complex with promazine using chemical shift perturbations and intermolecular NOEs
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wang, X, Gorfe, A.A, Putkey, J.A.
Deposit date:2021-01-20
Release date:2021-07-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Antipsychotic phenothiazine drugs bind to KRAS in vitro.
J.Biomol.Nmr, 75, 2021
3SOD
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BU of 3sod by Molmil
CHANGES IN CRYSTALLOGRAPHIC STRUCTURE AND THERMOSTABILITY OF A CU,ZN SUPEROXIDE DISMUTASE MUTANT RESULTING FROM THE REMOVAL OF BURIED CYSTEINE
Descriptor: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Mcree, D.E, Redford, S.M, Getzoff, E.D, Lepock, J.R, Hallewell, R.A, Tainer, J.A.
Deposit date:1990-06-26
Release date:1993-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Changes in crystallographic structure and thermostability of a Cu,Zn superoxide dismutase mutant resulting from the removal of a buried cysteine.
J.Biol.Chem., 265, 1990
7LW8
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BU of 7lw8 by Molmil
Human Exonuclease 5 crystal structure in complex with a ssDNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Exonuclease V, ...
Authors:Tsai, C.L, Tainer, J.A.
Deposit date:2021-02-28
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
7LWD
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BU of 7lwd by Molmil
Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, ...
Authors:Yang, D, Kalenderoglou, I.E, Gouaux, E, Coleman, J.A, Loland, C.J.
Deposit date:2021-03-01
Release date:2021-08-11
Last modified:2021-09-01
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter.
Nat Commun, 12, 2021
7LVP
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BU of 7lvp by Molmil
Cryptococcus neoformans AIR synthetase
Descriptor: 1,2-ETHANEDIOL, AIR synthase, GLYCINE, ...
Authors:Chua, S.M.H, Luo, Z, Lim, B.Y.J, Kobe, B, Fraser, J.A.
Deposit date:2021-02-26
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural features of Cryptococcus neoformans bifunctional GAR/AIR synthetase may present novel antifungal drug targets.
J.Biol.Chem., 297, 2021
7JT4
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BU of 7jt4 by Molmil
Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan
Descriptor: Nucleosome-remodeling factor subunit BPTF
Authors:Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2020-08-17
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
3R0K
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BU of 3r0k by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate bound, no Mg
Descriptor: D(-)-TARTARIC ACID, Enzyme of enolase superfamily, GLYCEROL, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-08
Release date:2011-03-30
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3R4V
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BU of 3r4v by Molmil
Structure of the phage tubulin PhuZ-GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein
Authors:Agard, D.A, Pogliano, J, Kraemer, J.A, Erb, M.L, Waddling, C.A, Montabana, E.A, Wang, H, Nguyen, K, Pham, S.
Deposit date:2011-03-17
Release date:2012-07-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A phage tubulin assembles dynamic filaments by an atypical mechanism to center viral DNA within the host cell.
Cell(Cambridge,Mass.), 149, 2012
7JRS
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BU of 7jrs by Molmil
Crystal structures of artificially designed homomeric RNA nanoarchitectures
Descriptor: RNA 3D nanocage
Authors:Liu, D, Shao, Y, Piccirilli, J.A, Weizmann, Y.
Deposit date:2020-08-12
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structures of artificially designed discrete RNA nanoarchitectures at near-atomic resolution.
Sci Adv, 7, 2021
7JRR
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BU of 7jrr by Molmil
Crystal structures of artificially designed homomeric RNA nanoarchitectures
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, RNA (50-MER)
Authors:Liu, D, Shao, Y, Piccirilli, J.A, Weizmann, Y.
Deposit date:2020-08-12
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structures of artificially designed discrete RNA nanoarchitectures at near-atomic resolution.
Sci Adv, 7, 2021
3RLV
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BU of 3rlv by Molmil
Crystal structure of the mutant Y206F of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.421 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
7JO9
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BU of 7jo9 by Molmil
1:1 cGAS-nucleosome complex
Descriptor: Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1, ...
Authors:Boyer, J.A, Spangler, C.J, Strauss, J.D, Cesmat, A.P, Liu, P, McGinty, R.K, Zhang, Q.
Deposit date:2020-08-06
Release date:2020-09-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of nucleosome-dependent cGAS inhibition.
Science, 370, 2020
3S33
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BU of 3s33 by Molmil
Structure of Thermus thermophilus cytochrome ba3 oxidase 10s after Xe depressurization
Descriptor: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D.
Deposit date:2011-05-17
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.45 Å)
Cite:Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase.
Biochemistry, 51, 2012
3S3C
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BU of 3s3c by Molmil
Structure of Thermus thermophilus cytochrome ba3 oxidase 360s after Xe depressurization
Descriptor: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D.
Deposit date:2011-05-18
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase.
Biochemistry, 51, 2012
3RUZ
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BU of 3ruz by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V74K at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Clark, I, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2011-05-05
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Internal ionizable residues in proteins
To be Published
7LPY
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BU of 7lpy by Molmil
Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases
Descriptor: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ...
Authors:Thapar, R, Andrew, A.S, Tainer, J.A.
Deposit date:2021-02-12
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases
To Be Published
7LPZ
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BU of 7lpz by Molmil
Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases
Descriptor: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ...
Authors:Thapar, R, Andrew, A.S, Tainer, J.A.
Deposit date:2021-02-12
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases
To Be Published
3RUW
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BU of 3ruw by Molmil
Crystal structure of Cpn-rls in complex with ADP-AlFx from Methanococcus maripaludis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Chaperonin, ...
Authors:Pereira, J.H, Ralston, C.Y, Douglas, N.R, Kumar, R, McAndrew, R.P, Knee, K.M, King, J.A, Frydman, J, Adams, P.D.
Deposit date:2011-05-05
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Mechanism of nucleotide sensing in group II chaperonins.
Embo J., 31, 2012
7LQ0
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BU of 7lq0 by Molmil
Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases
Descriptor: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ...
Authors:Thapar, R, Andrew, A.S, Tainer, J.A.
Deposit date:2021-02-12
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases
To Be Published
7K1W
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BU of 7k1w by Molmil
PIKfyve/Fig4/Vac14 complex centered on Fig4 - map3
Descriptor: Fig4 Sac homology model
Authors:Lees, J.A, Reinisch, K.M, Li, P.
Deposit date:2020-09-08
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Insights into Lysosomal PI(3,5)P 2 Homeostasis from a Structural-Biochemical Analysis of the PIKfyve Lipid Kinase Complex.
Mol.Cell, 80, 2020
3S9V
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BU of 3s9v by Molmil
abietadiene synthase from Abies grandis
Descriptor: Abietadiene synthase, chloroplastic
Authors:Zhou, K, Hoy, J.A, Mann, F.M, Honzatko, R.B, Peters, R.J.
Deposit date:2011-06-02
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into diterpene cyclization from structure of bifunctional abietadiene synthase from Abies grandis.
J.Biol.Chem., 287, 2012
3SED
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BU of 3sed by Molmil
Crystal Structure of Ketosteroid Isomerase Variant M105A from Pseudomonos putida
Descriptor: Steroid Delta-isomerase
Authors:Somarowthu, S, Brodkin, H.R, D'Aquino, J.A, Ringe, D, Ondrechen, M.J, Beuning, P.J.
Deposit date:2011-06-10
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:A tale of two isomerases: compact versus extended active sites in ketosteroid isomerase and phosphoglucose isomerase.
Biochemistry, 50, 2011

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